 Entering Gaussian System, Link 0=g16
 Input=23_tartaric_acid_180_STD_B3LYPDBJ-def2SVPDr.in
 Output=23_tartaric_acid_180_STD_B3LYPDBJ-def2SVPDr.log
 AtFile(1): /user/pierpa/basis_sets/def2SVPD.gbs
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                  0.28148150384D-01      1.0000000
            D    4   1.00
                 19.240334928            0.27039082144D-01
                  5.1178995899           0.13803684743
                  1.6554278827           0.34869086403
                  0.54016355610          0.48594185717
            D    1   1.00
                  0.16211214518           .34374449689
            F    1   1.00
                  0.3450000              1.0000000
            ****
            -Ti     0
            S    6   1.00
              42961.5121850              0.39127635355D-02
               6450.9759169              0.29969820489D-01
               1467.7210915              0.14836352707
                414.20997355             0.51347285324
                134.48715840             1.0335365483
                 46.122209796            0.77854233930
            S    3   1.00
                 89.447762543           -0.28385401259
                 10.223346060            1.6772785333
                  4.1353774271           1.2411928456
            S    3   1.00
                  6.7896181452          -0.78399994518D-02
                  1.1106730691           0.25495493019D-01
                  0.47565975578          0.16061172892D-01
            S    1   1.00
                  0.65986956934D-01      1.0000000
            S    1   1.00
                  0.25210342250D-01      1.0000000
            P    5   1.00
                522.03684782             0.19754179642D-01
                122.68649489             0.14460677619
                 38.572903611            0.54669004165
                 13.672169319            1.0531647540
                  5.0118529359           0.69111213363
            P    3   1.00
                  2.4131928282           0.75803437136
                  0.93252270050          1.3036241399
                  0.35429058390          0.53638653300
            P    1   1.00
                  0.1015610              1.0000000
            P    1   1.00
                  0.35788253200D-01      1.0000000
            D    4   1.00
                 23.465125957            0.26536380115D-01
                  6.3332593832           0.13796453963
                  2.0766489946           0.35312644228
                  0.69027361954          0.48647124166
            D    1   1.00
                  0.21088738554           .33026314258
            F    1   1.00
                  0.5620000              1.0000000
            ****
            -V     0
            S    6   1.00
              47160.3760600              0.14498688908D-02
               7081.4110871              0.11106435251D-01
               1611.1621223              0.55005423585D-01
                454.72940551             0.19060252591
                147.71321208             0.38435022957
                 50.699538950            0.29095546792
            S    3   1.00
                 98.262492669           -0.10942337856
                 11.294293099            0.64539490399
                  4.5853360105           0.47117880777
            S    3   1.00
                  7.6359689588          -0.22454949054
                  1.2539836689           0.72594852764
                  0.53271935387          0.45560582748
            S    1   1.00
                  0.72246239566D-01      1.0000000
            S    1   1.00
                  0.27358087448D-01      1.0000000
            P    5   1.00
                580.55044988             0.97315110917D-02
                136.52341127             0.71531241137D-01
                 42.983958820            0.27197688414
                 15.282798763            0.52618988893
                  5.6202495154           0.34452533498
            P    3   1.00
                  2.7485386415           0.34040396496
                  1.0618550073           0.57983996120
                  0.40235518645          0.23911643083
            P    1   1.00
                  0.1112480              1.0000000
            P    1   1.00
                  0.35000888460D-01      1.0000000
            D    4   1.00
                 27.358434017            0.26641927050D-01
                  7.4540604253           0.13995311726
                  2.4633917847           0.35751066639
                  0.82480925277          0.48488354148
            D    1   1.00
                  0.25257904742           .32332844995
            F    1   1.00
                  0.8310000              1.0000000
            ****
            -Cr     0
            S    6   1.00
              51528.0863490              0.14405823106D-02
               7737.2103487              0.11036202287D-01
               1760.3748470              0.54676651806D-01
                496.87706544             0.18965038103
                161.46520598             0.38295412850
                 55.466352268            0.29090050668
            S    3   1.00
                107.54732999            -0.10932281100
                 12.408671897            0.64472599471
                  5.0423628826           0.46262712560
            S    3   1.00
                  8.5461640165          -0.22711013286
                  1.3900441221           0.73301527591
                  0.56066602876          0.44225565433
            S    1   1.00
                  0.71483705972D-01      1.0000000
            S    1   1.00
                  0.28250687604D-01      1.0000000
            P    5   1.00
                640.48536096             0.96126715203D-02
                150.69711194             0.70889834655D-01
                 47.503755296            0.27065258990
                 16.934120165            0.52437343414
                  6.2409680590           0.34107994714
            P    3   1.00
                  3.0885463206           0.33973986903
                  1.1791047769           0.57272062927
                  0.43369774432          0.24582728206
            P    1   1.00
                  0.1206750              1.0000000
            P    1   1.00
                  0.33978554488D-01      1.0000000
            D    4   1.00
                 27.559479426            0.30612488044D-01
                  7.4687020327           0.15593270944
                  2.4345903574           0.36984421276
                  0.78244754808          0.47071118077
            D    1   1.00
                  0.21995774311           .33941649889
            F    1   1.00
                  1.1470000              1.0000000
            ****
            -Mn     0
            S    6   1.00
              56137.0090370              0.14321304702D-02
               8429.2063943              0.10972509162D-01
               1917.8277233              0.54382468712D-01
                541.36230198             0.18884335129
                176.00069142             0.38198025054
                 60.500477010            0.29156772596
            S    3   1.00
                117.17282882            -0.10933661328
                 13.596973368            0.64305039431
                  5.5483996341           0.45848970584
            S    3   1.00
                  9.4662853530          -0.22538977259
                  1.5595006070           0.72307758657
                  0.65230205868          0.45300721536
            S    1   1.00
                  0.84003734475D-01      1.0000000
            S    1   1.00
                  0.31256098581D-01      1.0000000
            P    5   1.00
                706.00497535             0.95055518167D-02
                166.19728820             0.70356271142D-01
                 52.452061906            0.27005556982
                 18.746932862            0.52574344602
                  6.9282991622           0.34254033223
            P    3   1.00
                  3.4772204938           0.33994073736
                  1.3406906449           0.57203836254
                  0.50498803038          0.23847605831
            P    1   1.00
                  0.1276500              1.0000000
            P    1   1.00
                  0.36336999053D-01      1.0000000
            D    4   1.00
                 35.423264935            0.26985304111D-01
                  9.7814221451           0.14383458648
                  3.2673488767           0.36418958377
                  1.1026472189           0.48152670661
            D    1   1.00
                  0.33743205934           .31458754360
            F    1   1.00
                  1.3260000              1.0000000
            ****
            -Fe     0
            S    6   1.00
              60923.6406430              0.14302254466D-02
               9147.8893982              0.10958790038D-01
               2081.3505927              0.54332554248D-01
                587.55977067             0.18884995009
                191.09043990             0.38253069946
                 65.732730112            0.29308335984
            S    3   1.00
                127.25891928            -0.10964564925
                 14.830913010            0.64387631332
                  6.0653307408           0.45472347323
            S    3   1.00
                 10.449943710           -0.22539639952
                  1.7245228003           0.72164398156
                  0.71772177325          0.44985492922
            S    1   1.00
                  0.91449828308D-01      1.0000000
            S    1   1.00
                  0.33706691021D-01      1.0000000
            P    5   1.00
                773.43750995             0.94325735144D-02
                182.15149714             0.70029620575D-01
                 57.547272758            0.26993651996
                 20.614988935            0.52700011047
                  7.6348557890           0.34284148028
            P    3   1.00
                  3.8719327990           0.33974402988
                  1.4924724132           0.56842594005
                  0.56061284958          0.23649365839
            P    1   1.00
                  0.1349150              1.0000000
            P    1   1.00
                  0.36933633962D-01      1.0000000
            D    4   1.00
                 38.968133419            0.27879664382D-01
                 10.800067078            0.14858319982
                  3.6136457999           0.36905479496
                  1.2129967888           0.47745100883
            D    1   1.00
                  0.36524393170           .31418142304
            F    1   1.00
                  1.5980000              1.0000000
            ****
            -Co     0
            S    6   1.00
              65902.2082570              0.14284614936D-02
               9895.3896027              0.10946072783D-01
               2251.4305789              0.54285953890D-01
                635.61097084             0.18885179079
                206.78820681             0.38301634994
                 71.179242971            0.29443551266
            S    3   1.00
                137.77268040            -0.10990221736
                 16.118079243            0.64455537395
                  6.6030327710           0.45116787924
            S    3   1.00
                 11.479915788           -0.22593846910
                  1.8956426324           0.72231409008
                  0.78466232067          0.44903812296
            S    1   1.00
                  0.98425774432D-01      1.0000000
            S    1   1.00
                  0.35945741932D-01      1.0000000
            P    5   1.00
                843.64358575             0.93866097254D-02
                198.76386994             0.69880208716D-01
                 62.854963098            0.27037070345
                 22.562842280            0.52904786880
                  8.3713209127           0.34357029579
            P    3   1.00
                  4.2858719800           0.34027999036
                  1.6508041817           0.56693392384
                  0.61834231096          0.23617979783
            P    1   1.00
                  0.1413080              1.0000000
            P    1   1.00
                  0.37744197011D-01      1.0000000
            D    4   1.00
                 42.927867612            0.28487788365D-01
                 11.942533053            0.15206951283
                  4.0046495664           0.37310913999
                  1.3413193804           0.47549837676
            D    1   1.00
                  0.40015009743           .31346831424
            F    1   1.00
                  1.9030000              1.0000000
            ****
            -Ni     0
            S    6   1.00
              71074.8032110              0.14260386729D-02
              10672.0209410              0.10928236994D-01
               2428.1389007              0.54212626938D-01
                685.53595148             0.18874768902
                223.10072863             0.38324616985
                 76.842014042            0.29550637144
            S    3   1.00
                148.71122016            -0.11014443059
                 17.459154987            0.64521426988
                  7.1625280665           0.44797838103
            S    3   1.00
                 12.556137125           -0.22645403224
                  2.0735740488           0.72320959286
                  0.85382640602          0.44868026476
            S    1   1.00
                  0.10536766271          1.0000000
            S    1   1.00
                  0.38134087688D-01      1.0000000
            P    5   1.00
                916.73608662             0.93439635610D-02
                216.06139913             0.69737374902D-01
                 68.383914817            0.27073495012
                 24.593843952            0.53078301549
                  9.1392960204           0.34410229438
            P    3   1.00
                  4.7193371746           0.34076082016
                  1.8161849234           0.56580169611
                  0.67840750720          0.23616717361
            P    1   1.00
                  0.1465880              1.0000000
            P    1   1.00
                  0.38905548722D-01      1.0000000
            D    4   1.00
                 47.093832108            0.28982316948D-01
                 13.146463975            0.15494995950
                  4.4170548925           0.37633115111
                  1.4771565078           0.47365096014
            D    1   1.00
                  0.43735921792           .31247837833
            F    1   1.00
                  2.1740000              1.0000000
            ****
            -Cu     0
            S    6   1.00
              76381.3480560              0.14336079896D-02
              11468.7774990              0.10986749865D-01
               2609.4246495              0.54513652465D-01
                736.75033098             0.18990128258
                239.82419958             0.38581959211
                 82.656829252            0.29790607498
            S    3   1.00
                160.13544196            -0.11146778567
                 18.834177695            0.65349301031
                  7.7176595741           0.44770534421
            S    3   1.00
                 13.710846717           -0.22870911122
                  2.2349895670           0.73464423031
                  0.87818360069          0.43273070874
            S    1   1.00
                  0.87187458064D-01      1.0000000
            S    1   1.00
                  0.32969114665D-01      1.0000000
            P    5   1.00
                991.24075782             0.93878498798D-02
                233.69376116             0.70208282458D-01
                 74.020930927            0.27323522220
                 26.664967447            0.53580792728
                  9.9192087478           0.34575794906
            P    3   1.00
                  5.1519553926           0.34229108083
                  1.9638205828           0.56456592484
                  0.71560097037          0.24078584318
            P    1   1.00
                  0.1550650              1.0000000
            P    1   1.00
                  0.38734214974D-01      1.0000000
            D    4   1.00
                 47.335049590            0.32375547758D-01
                 13.161666077            0.16810218684
                  4.3693777244           0.38477707982
                  1.4132925109           0.46147880178
            D    1   1.00
                  0.38878001452           .32388873258
            F    1   1.00
                  2.2330000              1.0000000
            ****
            -Zn     0
            S    6   1.00
              82000.7116290              0.14210764000D-02
              12312.4717770              0.10891499487D-01
               2801.3944193              0.54057188059D-01
                790.99424302             0.18847463904
                257.56551079             0.38346549346
                 88.814933400            0.29723794197
            S    3   1.00
                171.86353716            -0.11051849523
                 20.302534785            0.64607716984
                  8.3464123068           0.44220117322
            S    3   1.00
                 14.847536940           -0.22705309278
                  2.4495029507           0.72433217935
                  0.99845821824          0.44836495592
            S    1   1.00
                  0.11891307937          1.0000000
            S    1   1.00
                  0.42297428760D-01      1.0000000
            P    5   1.00
               1071.5185372              0.92767797235D-02
                252.69712152             0.69541149434D-01
                 80.100829126            0.27156772564
                 28.903393172            0.53401355573
                 10.768899879            0.34501323446
            P    3   1.00
                  5.6446212530           0.34129600164
                  2.1678291347           0.56390521973
                  0.80540898341          0.23676109735
            P    1   1.00
                  0.1624550              1.0000000
            P    1   1.00
                  0.42022716037D-01      1.0000000
            D    4   1.00
                 56.088939191            0.29588869140D-01
                 15.751908917            0.158725714045
                  5.3115812367           0.379762291591
                  1.7737904917           0.468989591719
            D    1   1.00
                  0.51975583665           .309071490776
            F    1   1.00
                  2.6140000              1.0000000
            ****
            -Ga     0
            S    6   1.00
              87842.1262960              0.14271588798D-02
              13189.4964020              0.10938894097D-01
               3000.9482141              0.54308200127D-01
                847.38425966             0.18951055983
                276.00980642             0.38615185918
                 95.216672071            0.30051082719
            S    3   1.00
                184.00703968            -0.11124461963
                 21.827051433            0.64831322918
                  9.0026963761           0.44358383594
            S    3   1.00
                 16.033176938           -0.23014299555
                  2.6707724878           0.72946861516
                  1.1252834170           0.46214976951
            S    1   1.00
                  0.15967608829          1.0000000
            S    1   1.00
                  0.57643044753D-01      1.0000000
            S    1   1.00
                  0.31819812628D-01      1.0000000
            P    5   1.00
               1167.2665844              0.90974021307D-02
                275.38062789             0.68456273343D-01
                 87.375073070            0.26922293888
                 31.597254670            0.53507897882
                 11.824122798            0.35279062760
            P    3   1.00
                  6.2881845133           0.33938244530
                  2.5199853240           0.56871947608
                  1.0169726306           0.27717694939
            P    1   1.00
                  0.24748373604          1.0000000
            P    1   1.00
                  0.66685294163D-01      1.0000000
            D    4   1.00
                 65.354237674            0.27370146382D-01
                 18.504656747            0.15099463976
                  6.3179620632           0.37485328545
                  2.1641389426           0.47510606851
            D    1   1.00
                  0.66693092754           .29843287401
            D    1   1.00
                  0.2070000              1.0000000
            D    1   1.00
                  0.49799390975D-01      1.0000000
            ****
            -Ge     0
            S    6   1.00
              93889.8366420              0.14233976060D-02
              14097.4975280              0.10910795654D-01
               3207.5477309              0.54183705943D-01
                905.76727269             0.18922820349
                295.11014693             0.38612847001
                101.84713141             0.30164050736
            S    3   1.00
                196.56719662            -0.11118770940
                 23.405292522            0.64616007369
                  9.6839116702           0.44188904568
            S    3   1.00
                 17.269736544           -0.23027421375
                  2.8964622160           0.73017169398
                  1.2553621412           0.46197222255
            S    1   1.00
                  0.20213081492          1.0000000
            S    1   1.00
                  0.73867910982D-01      1.0000000
            S    1   1.00
                  0.43410224935D-01      1.0000000
            P    5   1.00
               1259.2085995              0.90115464252D-02
                297.15626382             0.67986841689D-01
                 94.353387522            0.26853856488
                 34.176329677            0.53659649219
                 12.816139615            0.35633514961
            P    3   1.00
                  6.8471029784           0.33900693119
                  2.7717363939           0.56809365264
                  1.1458418175           0.27246539884
            P    1   1.00
                  0.30679631536          1.0000000
            P    1   1.00
                  0.89283644115D-01      1.0000000
            D    4   1.00
                 74.782168177            0.25755860205D-01
                 21.310849759            0.14536816132
                  7.3464792363           0.37134209859
                  2.5656271395           0.48002998436
            D    1   1.00
                  0.81981773070           .28978790744
            D    1   1.00
                  0.2460000              1.0000000
            D    1   1.00
                  0.66328328796D-01      1.0000000
            ****
            -As     0
            S    6   1.00
             100146.5255400              0.14258349617D-02
              15036.8617110              0.10930176963D-01
               3421.2902833              0.54294174610D-01
                966.16965717             0.18976078153
                314.87394026             0.38775195453
                108.70823790             0.30402812040
            S    3   1.00
                209.54238950            -0.11162094204
                 25.038221139            0.64697607762
                 10.390964343            0.44223608673
            S    3   1.00
                 18.555090093           -0.22994190569
                  3.1281217449           0.73319107613
                  1.3884885073           0.45533653943
            S    1   1.00
                  0.24714362141          1.0000000
            S    1   1.00
                  0.91429428670D-01      1.0000000
            S    1   1.00
                  0.55939685220D-01      1.0000000
            P    5   1.00
               1355.6443507              0.89182507898D-02
                319.99929270             0.67454750717D-01
                101.67734092             0.26759772110
                 36.886323845            0.53776844520
                 13.861115909            0.35992570244
            P    3   1.00
                  7.4260666912           0.34036849637
                  3.0316247187           0.57030149334
                  1.2783078340           0.26606170238
            P    1   1.00
                  0.37568503356          1.0000000
            P    1   1.00
                  0.11394805454          1.0000000
            D    4   1.00
                 84.445514539            0.24518402724D-01
                 24.190416102            0.14107454677
                  8.4045015119           0.36875228915
                  2.9808970748           0.48409561362
            D    1   1.00
                  0.97909243359           .28250268781
            D    1   1.00
                  0.2930000              1.0000000
            D    1   1.00
                  0.84097628016D-01      1.0000000
            ****
            -Se     0
            S    6   1.00
             106612.2002700              0.14274889113D-02
              16007.6047010              0.10943525114D-01
               3642.1699707              0.54374171596D-01
               1028.5912993              0.19018092947
                335.30298888             0.38913021696
                115.80129154             0.30620207088
            S    3   1.00
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            ****
            -Sb     0
            S    6   1.00
                372.76139166             0.15878057239D-02
                 22.689478596           -0.15027605583
                 18.391547037            0.35915813039
                  7.6406271414          -0.74805091065
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            S    2   1.00
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            S    1   1.00
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                 10.052739237           -0.41511149340
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            P    1   1.00
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            P    1   1.00
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                 18.504059617           -0.54952972010D-02
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                  1.7142196009           0.51273377761
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            D    1   1.00
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            ****
            -Te     0
            S    6   1.00
                396.47954659             0.26307731203D-02
                 21.919773309           -0.13203517066
                 18.061271390            0.36203197834
                  8.1403463241          -0.75591120276
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            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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                 10.433943171           -0.41205302672
                  1.3623024763           0.78760578076
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 18.884095378           -0.35221408938D-02
                  4.2527304630           0.28254216065
                  1.8757557092           0.52039372916
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            D    1   1.00
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            D    1   1.00
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            ****
            -I     0
            S    6   1.00
                445.90489176             0.20037290389D-02
                 23.336842412           -0.14989397324
                 19.583446104            0.36436474913
                  8.5112089186          -0.75538138199
                  2.1996161861           0.82816359356
                  1.0668970454           0.42161048110
            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 20.499027254            0.77159335656D-01
                 10.558754576           -0.38370372780
                  1.5015895485           0.83554174719
                  0.64597173095          0.16787259488
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 51.235354920            0.40345130346D-02
                 15.616239482           -0.50768108881D-02
                  4.5266002139           0.29151065356
                  2.0529808766           0.51145783605
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            D    1   1.00
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            D    1   1.00
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            ****
            -Xe     0
            S    5   1.00
               6420.2481656              0.25092173886D-03
                983.54530664             0.16251948178D-02
                219.43881364             0.46037106451D-02
                 23.012587807           -0.14698707182
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            S    2   1.00
                 11.752550163            0.66038420156
                  6.2390917199           0.38470524721
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 13.960683826           -0.50950157807D-01
                  4.0928947097           0.36669211800
                  2.2546815460           0.72619456861
                  1.1546596184           0.35555871740
            P    3   1.00
                193.81432545             0.95394802497D-03
                 21.725228086            0.57393353332D-01
                  9.8891605641          -0.27974266640
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    6   1.00
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                 38.727062692            0.60897654151D-02
                 15.377328089           -0.92782985596D-02
                  5.2602537686           0.22890785589
                  2.6590627424           0.44434407051
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            D    1   1.00
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            ****
            -Cs     0
            S    3   1.00
                  5.8778113443           0.12859994983
                  4.3631538286          -0.34632569725
                  1.8048475155           0.69930637051
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  1.9656663360          -0.25019961976
                  0.47689195212          0.55660850066
                  0.21529749588          0.58218553406
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    1   1.00
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            D    1   1.00
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            ****
            -Ba     0
            S    3   1.00
                  2.3961900000          -5.9554766710
                  2.2433050000           6.6805648241
                  0.71740200000         -0.57055347037
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.5207180000          -1.0707548832
                  0.67578180854          0.34940781448
                  0.31985844531          0.65041110673
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.1038910              0.4732600
            D    1   1.00
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            F    4   1.00
                 10.00                   0.073
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                  1.00                   0.350
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            ****
            -La     0
            S    2   1.00
                  5.0873990000          -0.44173707857
                  4.2709780000           0.85812489720
            S    1   1.00
                  2.1823803999           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.3820950000           0.51718364643673D+00
                  0.67246658081         -0.44823115995325D+00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.89049882672          0.25137236211233D+00
                  0.32947291040          0.44604068239531D+00
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            D    1   1.00
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            ****
            -Hf     0
            S    2   1.00
                 14.592485000           -0.80196298812
                 11.547491000            1.5261602829
            S    1   1.00
                  4.9112973928           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  5.9599790000          -0.83713508620273
                  1.0921117054           0.50570506286223
                  0.49702823217          0.51965388690539
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  1.3077987772           0.18409232564002
                  0.53272310298          0.41484423515705
                  0.20564954488          0.44224303496859
            D    1   1.00
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            F    1   1.00
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            ****
            -Ta     0
            S    2   1.00
                 14.400000000            0.99343296745
                 12.000000000           -1.6510077975
            S    1   1.00
                  5.0701477302           1.0000000
            S    1   1.00
                  0.86033356487          1.0000000
            S    1   1.00
                  0.37158938894          1.0000000
            S    1   1.00
                  0.10745336254          1.0000000
            S    1   1.00
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                  5.6984100000          -0.46968874449
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                  0.54478533555          0.52298161137
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.61042908544          0.42959071631
                  0.24216276510          0.43497228231503D+00
            D    1   1.00
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            ****
            -W     0
            S    2   1.00
                 15.000000000           -0.53315505392
                 12.000000000            1.0014141748
            S    1   1.00
                  5.2610967725           1.0000000
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                  0.11585976646          1.0000000
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                  6.0848760000          -0.66720686321
                  1.2523777812           0.52090351989
                  0.58569208922          0.51885687511
            P    1   1.00
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            D    4   1.00
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                  0.69187452392          0.44121676843
                  0.27865835325          0.43158409241461D+00
            D    1   1.00
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            ****
            -Re     0
            S    2   1.00
                 14.781862000           -1.1395193885
                 12.324075000            1.9371421121
            S    1   1.00
                  5.5098597284           1.0000000
            S    1   1.00
                  0.98874104687          1.0000000
            S    1   1.00
                  0.42833312030          1.0000000
            S    1   1.00
                  0.12296804533          1.0000000
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            P    4   1.00
                  7.4040050000           0.54510937865
                  6.3502060000          -0.76096056536
                  1.3311713455           0.53252276765
                  0.62659600547          0.51483045040
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.78702048429          0.45160766937
                  0.32069843172          0.43261236265745D+00
            D    1   1.00
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                  0.4898900              1.0000000
            ****
            -Os     0
            S    2   1.00
                 15.286736000           -1.0647114485
                 12.700638000            1.8433193269
            S    1   1.00
                  5.7094832504           1.0000000
            S    1   1.00
                  1.0689228744           1.0000000
            S    1   1.00
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            S    1   1.00
                  0.13253456992          1.0000000
            S    1   1.00
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            P    4   1.00
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                  6.3036410000          -0.56379438345
                  1.4351579676           0.52360040577
                  0.68442749722          0.52445339821
            P    1   1.00
                  0.28347394974          1.0000000
            P    1   1.00
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            P    1   1.00
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            D    4   1.00
                  3.5808150000          -0.42773932262
                  3.1961650000           0.44501403992
                  1.0550226354           0.43689459722
                  0.41588406618          0.48220605798770D+00
            D    1   1.00
                  0.14653507868          1.0000000
            F    1   1.00
                  0.5506500              1.0000000
            ****
            -Ir     0
            S    2   1.00
                 15.293709000           -1.6731899791
                 13.573682000            2.3934378976
            S    1   1.00
                  5.8213436542           1.0000000
            S    1   1.00
                  1.1520364268           1.0000000
            S    1   1.00
                  0.51104895338          1.0000000
            S    1   1.00
                  0.14084043578          1.0000000
            S    1   1.00
                  0.49828673085D-01      1.0000000
            P    4   1.00
                  8.6697960000           0.21469187346391
                  6.2456140000          -0.44863071815131
                  1.5657036153           0.50653393256771
                  0.75577412863          0.54052273352337
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.3617430000           0.56835425804006
                  1.1177053710           0.44304381513032
                  0.44322534858          0.47078394930144
            D    1   1.00
                  0.15641305125          1.0000000
            F    1   1.00
                  0.6100800              1.0000000
            ****
            -Pt     0
            S    2   1.00
                 16.559563000           -0.53808800717
                 13.892440000            0.91402161377
            S    1   1.00
                  5.8531044732           1.0000000
            S    1   1.00
                  1.2498640609           1.0000000
            S    1   1.00
                  0.55606439459          1.0000000
            S    1   1.00
                  0.13793093812          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.2000000000          -0.95441807252
                  1.5588402917           0.57140490320
                  0.73230402180          0.49508234268
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.93629991261          0.46533857641
                  0.37160028160          0.41129165525
            D    1   1.00
                  0.13155928617          1.0000000
            F    1   1.00
                  0.6681300              1.0000000
            ****
            -Au     0
            S    2   1.00
                 20.115299000           -0.15910719389
                 12.193477000            0.79105526778
            S    1   1.00
                  6.0735294368           1.0000000
            S    1   1.00
                  1.3174451569           1.0000000
            S    1   1.00
                  0.58596768244          1.0000000
            S    1   1.00
                  0.13875427354          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.3353260000          -0.72681584494
                  1.6575296365           0.57315511417
                  0.78159310216          0.49579068859
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.5682570000           0.40197233762
                  1.2345757130           0.46001988624
                  0.48190232338          0.46152130957882D+00
            D    1   1.00
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            F    1   1.00
                  0.7248200              1.0000000
            ****
            -Hg     0
            S    2   1.00
                 26.842049000           -0.26845096483D-01
                 10.320909000            0.81771278143
            S    1   1.00
                  6.3656242291           1.0000000
            S    1   1.00
                  1.3898932095           1.0000000
            S    1   1.00
                  0.63706742699          1.0000000
            S    1   1.00
                  0.16047725098          1.0000000
            S    1   1.00
                  0.56410423453D-01      1.0000000
            P    4   1.00
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                  7.1690950000          -0.44026342153
                  1.7559567931           0.58406314464
                  0.83145670425          0.49359746203
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.4800000000           0.37748470203231
                  1.2535869926           0.48342275878173
                  0.50841366863          0.43493523158359
            D    1   1.00
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            F    1   1.00
                  0.7956900              1.0000000
            ****
            -Tl     0
            S    6   1.00
                 45.356924655            0.50938157397D-02
                 20.278843336           -0.14805704314
                 14.420612394            0.36768453564
                  6.2161909754          -0.66820394623
                  1.5002511178           0.96232806743
                  0.76330879305          0.33175999361
            S    2   1.00
                  7.8193195283          -0.18828631537D-01
                  1.3176904042           0.32093431467
            S    1   1.00
                  0.17643545481          1.0000000
            S    1   1.00
                  0.65296835238D-01      1.0000000
            S    1   1.00
                  0.24592841139D-01      1.0000000
            P    4   1.00
                  9.0323058024           0.22738839085
                  7.5356419671          -0.35117975889
                  1.0521421998           0.25690085604
                  0.50303932656          0.84549942764D-01
            P    1   1.00
                  2.0067660913           1.0000000
            P    1   1.00
                  0.16675605056          1.0000000
            P    1   1.00
                  0.48596401464D-01      1.0000000
            D    5   1.00
                  9.4421940760           0.58250776986D-01
                  7.4410003381          -0.11789199301
                  1.9831617772           0.34232057636
                  0.91671748567          0.47557282350
                  0.39647207885          0.30528029435
            D    1   1.00
                  0.15500000000          1.0000000
            D    1   1.00
                  0.39237960293D-01      1.0000000
            ****
            -Pb     0
            S    6   1.00
                 55.727520333            0.29681153058D-02
                 20.302912827           -0.14352634362
                 14.558628750            0.37554188507
                  6.5370530973          -0.67253099800
                  1.5933900686           0.95887533909
                  0.83051419711          0.32593632538
            S    2   1.00
                  8.0719473648          -0.20412061217D-01
                  1.4165737490           0.32865829049
            S    1   1.00
                  0.20418933370          1.0000000
            S    1   1.00
                  0.77159007761D-01      1.0000000
            S    1   1.00
                  0.33059793391D-01      1.0000000
            P    4   1.00
                  9.5531412199           0.20542943990
                  7.5327685129          -0.36407590058
                  1.1185539567           0.32217481686
                  0.53739855255          0.96677743015D-01
            P    1   1.00
                  2.1359869828           1.0000000
            P    1   1.00
                  0.20027494801          1.0000000
            P    1   1.00
                  0.63408011513D-01      1.0000000
            D    5   1.00
                 13.494505735            0.11571042371D-01
                  7.0609770411          -0.66746645076D-01
                  2.1581835375           0.33978760942
                  1.0148541418           0.48523039273
                  0.44632672920          0.29682924018
            D    1   1.00
                  0.17500000000          1.0000000
            D    1   1.00
                  0.50585085346D-01      1.0000000
            ****
            -Bi     0
            S    6   1.00
                175.19632102             0.80278879028D-03
                 19.820147783           -0.14624461250
                 14.960110102            0.37435719885
                  6.7065785571          -0.68476017748
                  1.7391967524           0.90967322081
                  0.94504730591          0.38695797807
            S    2   1.00
                  8.4636832909          -0.20037183144D-01
                  1.5317838545           0.31054408682
            S    1   1.00
                  0.23405391503          1.0000000
            S    1   1.00
                  0.90268814613D-01      1.0000000
            S    1   1.00
                  0.41577775054D-01      1.0000000
            P    4   1.00
                 10.672046293            0.14391258793
                  7.1992185915          -0.37994608603
                  1.5359697528           0.53268032065
                  0.72201275727          0.23037698678
            P    1   1.00
                  2.8508661858           1.0000000
            P    1   1.00
                  0.23769418731          1.0000000
            P    1   1.00
                  0.78768140453D-01      1.0000000
            D    5   1.00
                 15.834273510            0.85062993231D-02
                  7.0956896087          -0.65954380016D-01
                  2.3363137007           0.33707163406
                  1.1208861366           0.49128719933
                  0.50309487376          0.29095930644
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.62256480090D-01      1.0000000
            ****
            -Po     0
            S    6   1.00
                278.13783916             0.91690497839D-03
                 19.659291105           -0.14713009283
                 15.016229647            0.38790413631
                  7.1149978720          -0.67059966298
                  1.7879214122           0.91212928327
                  0.94021655206          0.29153755200
            S    2   1.00
                  8.7584161749          -0.21561417525D-01
                  1.6503945866           0.31638990001
            S    1   1.00
                  0.26329582133          1.0000000
            S    1   1.00
                  0.10190654304          1.0000000
            S    1   1.00
                  0.36854928339D-01      1.0000000
            P    4   1.00
                 10.445945973            0.23631841405
                  8.0293101888          -0.45017818996
                  1.3588798023           0.44160334658
                  0.66829182929          0.14575285544
            P    1   1.00
                  2.4460635387           1.0000000
            P    1   1.00
                  0.27242942777          1.0000000
            P    1   1.00
                  0.88796031338D-01      1.0000000
            P    1   1.00
                  0.24278917089D-01      1.0000000
            D    5   1.00
                 18.292670150            0.72030963652D-02
                  7.1695578539          -0.66160544754D-01
                  2.5029225180           0.34363449378
                  1.2115945443           0.50529101033
                  0.54713334240          0.28301155453
            D    1   1.00
                  0.21500000000          1.0000000
            D    1   1.00
                  0.60680939679D-01      1.0000000
            ****
            -At     0
            S    6   1.00
                303.23376176             0.63504969788D-03
                 20.289449240           -0.13823165350
                 15.383783126            0.38333193283
                  7.4702184232          -0.66837560338
                  1.8731608346           0.91545877992
                  0.97426847543          0.25559567998
            S    2   1.00
                  8.9610112498          -0.23092977605D-01
                  1.7804284294           0.31690635939
            S    1   1.00
                  0.29269461143          1.0000000
            S    1   1.00
                  0.11395353119          1.0000000
            S    1   1.00
                  0.42558321816D-01      1.0000000
            P    4   1.00
                 10.722023134            0.26194870008
                  8.4823338656          -0.46607228264
                  1.3474291294           0.42119853309
                  0.62824011467          0.10643224457
            P    1   1.00
                  2.4814896839           1.0000000
            P    1   1.00
                  0.31036518470          1.0000000
            P    1   1.00
                  0.10144862043          1.0000000
            P    1   1.00
                  0.26996558228D-01      1.0000000
            D    5   1.00
                 20.799819604            0.65227965381D-02
                  7.1664616770          -0.67780885217D-01
                  2.6934397048           0.33954991335
                  1.3175112423           0.50899559178
                  0.59997066293          0.27526771759
            D    1   1.00
                  0.23500000000          1.0000000
            D    1   1.00
                  0.67929272623D-01      1.0000000
            ****
            -Rn     0
            S    5   1.00
               5187.7442468              0.16097034848D-03
                768.14491207             0.10508214789D-02
                159.35182065             0.27375438093D-02
                 21.863432724           -0.55045904905
                 18.388689978            0.78321373922
            S    2   1.00
                 24.816226448           -0.82636797204D-01
                  7.2923301677           1.0926256000
            S    1   1.00
                  2.0850437166           1.0000000
            S    1   1.00
                  1.0915245945           1.0000000
            S    1   1.00
                  0.34915708428          1.0000000
            S    1   1.00
                  0.13648422952          1.0000000
            S    1   1.00
                  0.46837581728D-01      1.0000000
            P    4   1.00
                  9.0845000304          -0.23093917426
                  6.2631489717           0.39747614192
                  2.2545193734           0.83026693838
                  1.1180666918           0.51467013112
            P    3   1.00
                194.68918723             0.26265814046D-03
                 11.210013525            0.19952302621
                  7.5298316489          -0.45994479561
            P    1   1.00
                  0.47444492594          1.0000000
            P    1   1.00
                  0.20172354616          1.0000000
            P    1   1.00
                  0.79503144392D-01      1.0000000
            P    1   1.00
                  0.22264519316D-01      1.0000000
            D    6   1.00
                 75.302723665            0.73590238429D-03
                 17.965913830            0.89490827389D-02
                  7.3741298033          -0.76641663693D-01
                  3.2296258578           0.22975404602
                  1.7937840508           0.43991495311
                  0.94633319732          0.35259395198
            D    1   1.00
                  0.46860482223          1.0000000
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.68815941916D-01      1.0000000
            F    1   1.00
                  2.1000000              1.0000000
            F    1   1.00
                  0.4180600              1.0000000
            ****
            
            -RB     0
            RB-ECP     3     28
            f potential
              1
            2      3.8431140            -12.3169000
            s-f potential
              3
            2      5.0365510             89.5001980
            2      1.9708490              0.4937610
            2      3.8431140             12.3169000
            p-f potential
              3
            2      4.2583410             58.5689740
            2      1.4707090              0.4317910
            2      3.8431140             12.3169000
            d-f potential
              3
            2      3.0231270             26.2248980
            2      0.6503830              0.9628390
            2      3.8431140             12.3169000
            -SR     0
            SR-ECP     3     28
            f potential
              1
            2      4.6339750            -15.8059920
            s-f potential
              3
            2      7.4000740            135.4794300
            2      3.6063790             17.5344630
            2      4.6339750             15.8059920
            p-f potential
              3
            2      6.4848680             88.3597090
            2      3.2880530             15.3943720
            2      4.6339750             15.8059920
            d-f potential
              3
            2      4.6228410             29.8889870
            2      2.2469040              6.6594140
            2      4.6339750             15.8059920
            -Y     0
            Y-ECP     3     28
            f potential
              2
            2      6.5842120            -19.12219811
            2      3.2921060             -2.43637543
            s-f potential
              4
            2      7.4880494            135.15384412
            2      3.7440247             15.55244130
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            p-f potential
              4
            2      6.4453772             87.78499167
            2      3.2226886             11.56406599
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            d-f potential
              4
            2      4.6584472             29.70100072
            2      2.3292236              5.53996847
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            -ZR     0
            ZR-ECP     3     28
            f potential
              2
            2      7.5400000            -21.09377605
            2      3.7700000             -3.08069427
            s-f potential
              4
            2      8.2000000            150.26759106
            2      4.0897278             18.97621650
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            p-f potential
              4
            2      7.1100000             99.62212372
            2      3.5967980             14.16873329
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            d-f potential
              4
            2      5.3500000             35.04512355
            2      2.4918215              6.11125948
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            -NB     0
            NB-ECP     3     28
            f potential
              2
            2      8.4900000            -22.92954996
            2      4.2500000             -3.66630986
            s-f potential
              4
            2      8.9000000            165.17914349
            2      4.4300000             21.99297437
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            p-f potential
              4
            2      7.7700000            111.79441445
            2      3.9600000             16.63348326
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            d-f potential
              4
            2      6.0500000             38.11224880
            2      2.8400000              8.03916727
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            -MO     0
            MO-ECP     3     28
            f potential
              2
            2      9.4500000            -24.80517707
            2      4.7200000             -4.15378155
            s-f potential
              4
            2      9.7145938            180.10310850
            2      4.6805004             24.99722791
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            p-f potential
              4
            2      8.1421366            123.77275231
            2      4.6259863             19.53022800
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            d-f potential
              4
            2      6.6184148             48.37502229
            2      3.2487516              8.89205274
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            -TC     0
            TC-ECP     3     28
            f potential
              2
            2     10.4000000            -26.56244747
            2      5.2000000             -4.58568054
            s-f potential
              4
            2     10.4223462            195.15916591
            2      5.0365160             28.09260333
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            p-f potential
              4
            2      8.9504494            135.28456622
            2      4.8544394             21.80650430
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            d-f potential
              4
            2      6.9456968             54.32972942
            2      3.9705849             11.15506795
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            -RU     0
            RU-ECP     3     28
            f potential
              2
            2     11.3600000            -28.34061627
            2      5.6800000             -4.94462923
            s-f potential
              4
            2     11.1052693            209.82297122
            2      5.4147454             30.65472642
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            p-f potential
              4
            2      9.7712707            146.33618228
            2      5.0739908             24.12787723
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            d-f potential
              4
            2      7.6714231             67.51589667
            2      4.1365647              9.87010415
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            -RH     0
            RH-ECP     3     28
            f potential
              2
            2     12.3100000            -30.09345572
            2      6.1600000             -5.21848192
            s-f potential
              4
            2     11.7200000            225.34775353
            2      5.8200000             32.82318898
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            p-f potential
              4
            2     10.4200000            158.70941159
            2      5.4500000             26.44410049
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            d-f potential
              4
            2      8.8200000             62.75862572
            2      3.8700000             10.97871947
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            -PD     0
            PD-ECP     3     28
            f potential
              2
            2     13.2700000            -31.92955431
            2      6.6300000             -5.39821694
            s-f potential
              4
            2     12.4300000            240.22904033
            2      6.1707594             35.17194347
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            p-f potential
              4
            2     11.0800000            170.41727605
            2      5.8295541             28.47213287
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            d-f potential
              4
            2      9.5100000             69.01384488
            2      4.1397811             11.75086158
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            -AG     0
            AG-ECP     3     28
            f potential
              2
            2     14.2200000            -33.68992012
            2      7.1100000             -5.53112021
            s-f potential
              4
            2     13.1300000            255.13936452
            2      6.5100000             36.86612154
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            p-f potential
              4
            2     11.7400000            182.18186871
            2      6.2000000             30.35775148
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            d-f potential
              4
            2     10.2100000             73.71926087
            2      4.3800000             12.50211712
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            -CD     0
            CD-ECP     3     28
            f potential
              2
            2     15.1847957            -35.47662555
            2      7.5923978             -5.61767685
            s-f potential
              4
            2     13.8358689            270.00948324
            2      6.8572704             38.76730798
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            p-f potential
              4
            2     12.4049710            193.82962939
            2      6.5677995             31.89652523
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            d-f potential
              4
            2     10.8969253             79.19364700
            2      4.6411649             13.23082674
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            -IN     0
            IN-ECP     3     28
            f potential
              2
            2     12.53905600           -13.72807800
            2     12.55256100           -18.20686600
            s-f potential
              4
            2     15.39282200           281.12235000
            2      8.05586400            61.90147000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            p-f potential
              6
            2     13.92867200            67.46215400
            2     13.34723400           134.94925000
            2      7.61413200            14.74614000
            2      7.31836500            29.63926200
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            d-f potential
              6
            2     14.03471500            35.49325400
            2     14.51161600            53.17877300
            2      5.55055000             9.17728100
            2      5.05941500            12.39241000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            -SN     0
            SN-ECP     3     28
            f potential
              2
            2     12.28234800           -12.57633300
            2     12.27215000           -16.59594400
            s-f potential
              4
            2     17.42041400           279.98868200
            2      7.63115500            62.37781000
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            p-f potential
              6
            2     16.13102400            66.16252300
            2     15.62807700           132.17439600
            2      7.32560800            16.33941700
            2      6.94251900            32.48895900
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            d-f potential
              6
            2     15.51497600            36.38744100
            2     15.18816000            54.50784100
            2      5.45602400             8.69682300
            2      5.36310500            12.84020800
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            -SB     0
            SB-ECP     3     28
            f potential
              2
            2     14.44497800           -15.36680100
            2     14.44929500           -20.29613800
            s-f potential
              4
            2     16.33086500           281.07158100
            2      8.55654200            61.71660400
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            p-f potential
              6
            2     14.47033700            67.45738000
            2     13.81619400           134.93350300
            2      8.42492400            14.71634400
            2      8.09272800            29.51851200
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            d-f potential
              6
            2     14.88633100            35.44781500
            2     15.14631900            53.14346600
            2      5.90826700             9.17922300
            2      5.59432200            13.24025300
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            -TE     0
            TE-ECP     3     28
            f potential
              2
            2     15.20616800           -15.74545000
            2     15.20170200           -20.74244800
            s-f potential
              4
            2     16.81447300           281.04584300
            2      8.79352600            61.62065600
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            p-f potential
              6
            2     14.87780100            67.44946400
            2     14.26973100           134.90430400
            2      8.72443500            14.68954700
            2      8.29151500            29.41506300
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            d-f potential
              6
            2     15.20500800            35.43205700
            2     15.22584800            53.13568700
            2      6.07176900             9.06980200
            2      5.80476000            13.12230400
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            -I     0
            I-ECP     3     28
            f potential
              4
            2     19.45860900           -21.84204000
            2     19.34926000           -28.46819100
            2      4.82376700            -0.24371300
            2      4.88431500            -0.32080400
            s-f potential
              7
            2     40.01583500            49.99429300
            2     17.42974700           281.02531700
            2      9.00548400            61.57332600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            p-f potential
              8
            2     15.35546600            67.44284100
            2     14.97183300           134.88113700
            2      8.96016400            14.67505100
            2      8.25909600            29.37566600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            d-f potential
              10
            2     15.06890800            35.43952900
            2     14.55532200            53.17605700
            2      6.71864700             9.06719500
            2      6.45639300            13.20693700
            2      1.19177900             0.08933500
            2      1.29115700             0.05238000
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            -XE     0
            XE-ECP     3     28
            f potential
              4
            2     20.88155700           -23.08929500
            2     20.78344300           -30.07447500
            2      5.25338900            -0.28822700
            2      5.36118800            -0.38692400
            s-f potential
              7
            2     40.00518400            49.99796200
            2     17.81221400           281.01330300
            2      9.30415000            61.53825500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            p-f potential
              8
            2     15.70177200            67.43914200
            2     15.25860800           134.87471100
            2      9.29218400            14.66330000
            2      8.55900300            29.35473000
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            d-f potential
              10
            2     15.18560000            35.43690800
            2     14.28450000            53.19577200
            2      7.12188900             9.04623200
            2      6.99196300            13.22368100
            2      0.62394600             0.08485300
            2      0.64728400             0.04415500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            -CS     0
            CS-ECP     3     46
            f potential
              1
            2      3.1232690            -28.8843090
            s-f potential
              3
            2      4.0797500             84.5477300
            2      2.4174060             16.6541730
            2      3.1232690             28.8843090
            p-f potential
              3
            2      5.5140800            157.0490590
            2      2.1603160             26.4233070
            2      3.1232690             28.8843090
            d-f potential
              3
            2      1.8074100             13.1727530
            2      0.8581820              3.3428330
            2      3.1232690             28.8843090
            -BA     0
            BA-ECP     3     46
            f potential
              1
            2      3.5894650            -33.4731740
            s-f potential
              3
            2      9.5269860            427.8458160
            2      4.4875100            204.4175300
            2      3.5894650             33.4731740
            p-f potential
              3
            2      8.3159300            293.6058640
            2      4.2922170            294.1933160
            2      3.5894650             33.4731740
            d-f potential
              3
            2      5.9161080            112.5504020
            2      2.8748420            181.7826210
            2      3.5894650             33.4731740
            -LA     0
            LA-ECP     3     46
            f potential
              1
            2      4.0286000            -36.0100160
            s-f potential
              3
            2      3.3099000             91.9321770
            2      1.6550000             -3.7887640
            2      4.0286000             36.0100160
            p-f potential
              3
            2      2.8368000             63.7594860
            2      1.4184000             -0.6479580
            2      4.0286000             36.0100160
            d-f potential
              3
            2      2.0213000             36.1161730
            2      1.0107000              0.2191140
            2      4.0286000             36.0100160
            -HF     0
            HF-ECP     3     60
            f potential
              1
            2      1.78576984            10.04672251
            s-f potential
              3
            2     14.76995900          1499.28471073
            2      7.38497940            40.28210136
            2      1.78576984           -10.04672251
            p-f potential
              3
            2      9.84948950           397.73300533
            2      4.92474450            19.31640586
            2      1.78576984           -10.04672251
            d-f potential
              3
            2      6.09675640           101.32980526
            2      3.04837820             5.87343821
            2      1.78576984           -10.04672251
            -TA     0
            TA-ECP     3     60
            f potential
              1
            2      2.01788111            12.01796094
            s-f potential
              3
            2     14.54640770          1345.88064703
            2      7.27320380            36.76680620
            2      2.01788111           -12.01796094
            p-f potential
              3
            2      9.93556529           378.42530145
            2      4.96778243            22.29309086
            2      2.01788111           -12.01796094
            d-f potential
              3
            2      6.34737691           104.88395571
            2      3.17368846             8.75584805
            2      2.01788111           -12.01796094
            -W     0
            W-ECP     3     60
            f potential
              1
            2      2.25888846            14.15257947
            s-f potential
              3
            2     14.32285640          1192.39588226
            2      7.16142810            32.52293315
            2      2.25888846           -14.15257947
            p-f potential
              3
            2     10.02164110           359.03196711
            2      5.01082040            24.03038019
            2      2.25888846           -14.15257947
            d-f potential
              3
            2      6.59799743           108.30134897
            2      3.29899871            10.98252827
            2      2.25888846           -14.15257947
            -RE     0
            RE-ECP     3     60
            f potential
              1
            2      2.50865059            16.44985227
            s-f potential
              3
            2     14.09930510          1038.95157226
            2      7.04965250            29.56173830
            2      2.50865059           -16.44985227
            p-f potential
              3
            2     10.10771690           339.54350965
            2      5.05385830            24.91369646
            2      2.50865059           -16.44985227
            d-f potential
              3
            2      6.84861794           111.69965275
            2      3.42430897            12.62432927
            2      2.50865059           -16.44985227
            -OS     0
            OS-ECP     3     60
            f potential
              1
            2      2.76707510            18.90945701
            s-f potential
              3
            2     13.87575390           885.40571914
            2      6.93787690            25.96704014
            2      2.76707510           -18.90945701
            p-f potential
              3
            2     10.19379260           320.08390185
            2      5.09689620            26.14876493
            2      2.76707510           -18.90945701
            d-f potential
              3
            2      7.09923846           115.04484313
            2      3.54961923            13.62257457
            2      2.76707510           -18.90945701
            -IR     0
            IR-ECP     3     60
            f potential
              1
            2      3.03407192            21.53103107
            s-f potential
              3
            2     13.65220260           732.26919978
            2      6.82610130            26.48472087
            2      3.03407192           -21.53103107
            p-f potential
              3
            2     10.27986840           299.48947357
            2      5.13993410            26.46623354
            2      3.03407192           -21.53103107
            d-f potential
              3
            2      7.34985897           124.45759451
            2      3.67492949            14.03599518
            2      3.03407192           -21.53103107
            -PT     0
            PT-ECP     3     60
            f potential
              1
            2      3.30956857            24.31437573
            s-f potential
              3
            2     13.42865130           579.22386092
            2      6.71432560            29.66949062
            2      3.30956857           -24.31437573
            p-f potential
              3
            2     10.36594420           280.86077422
            2      5.18297210            26.74538204
            2      3.30956857           -24.31437573
            d-f potential
              3
            2      7.60047949           120.39644429
            2      3.80023974            15.81092058
            2      3.30956857           -24.31437573
            -AU     0
            AU-ECP     3     60
            f potential
              2
            2      4.78982000            30.49008890
            2      2.39491000             5.17107381
            s-f potential
              4
            2     13.20510000           426.84667920
            2      6.60255000            37.00708285
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            p-f potential
              4
            2     10.45202000           261.19958038
            2      5.22601000            26.96249604
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            d-f potential
              4
            2      7.85110000           124.79066561
            2      3.92555000            16.30072573
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            -HG     0
            HG-ECP     3     60
            f potential
              1
            2      3.88579112            30.36499643
            s-f potential
              3
            2     12.98154870           275.73721174
            2      6.49077440            49.08921249
            2      3.88579112           -30.36499643
            p-f potential
              3
            2     10.53809580           241.54007398
            2      5.26904790            27.39659081
            2      3.88579112           -30.36499643
            d-f potential
              3
            2      8.10172051           127.86700761
            2      4.05086026            16.60831151
            2      3.88579112           -30.36499643
            -TL     0
            TL-ECP     3     60
            f potential
              4
            2      5.62639900            15.82548800
            2      5.54895200            21.10402100
            2      2.87494600             2.91512700
            2      2.82145100             3.89690300
            s-f potential
              6
            2     12.16780500           281.28466300
            2      8.29490900            62.43425100
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            p-f potential
              8
            2      7.15149200             4.63340800
            2      5.17286500             9.34175600
            2      9.89107200            72.29925300
            2      9.00339100           144.55803700
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            d-f potential
              8
            2      7.13021800            35.94303900
            2      6.92690600            53.90959300
            2      5.41757000            10.38193900
            2      5.13868100            15.58382200
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            -PB     0
            PB-ECP     3     60
            f potential
              2
            2      3.88751200            12.20989200
            2      3.81196300            16.19029100
            s-f potential
              4
            2     12.29630300           281.28549900
            2      8.63263400            62.52021700
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            p-f potential
              6
            2     10.24179000            72.27689700
            2      8.92417600           144.59108300
            2      6.58134200             4.75869300
            2      6.25540300             9.94062100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            d-f potential
              6
            2      7.75433600            35.84850700
            2      7.72028100            53.72434200
            2      4.97026400            10.11525600
            2      4.56378900            14.83373100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            -BI     0
            BI-ECP     3     60
            f potential
              2
            2      4.21454600            13.71338300
            2      4.13340000            18.19430800
            s-f potential
              4
            2     13.04309000           283.26422700
            2      8.22168200            62.47195900
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            p-f potential
              6
            2     10.46777700            72.00149900
            2      9.11890100           144.00227700
            2      6.75479100             5.00794500
            2      6.25259200             9.99155000
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            d-f potential
              6
            2      8.08147400            36.39625900
            2      7.89059500            54.59766400
            2      4.95555600             9.98429400
            2      4.70455900            14.98148500
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            -PO     0
            PO-ECP     3     60
            f potential
              4
            2      5.01327000            17.42829500
            2      4.98464000            23.38035300
            2      1.32676000             0.16339200
            2      1.52875800             0.32456600
            s-f potential
              6
            2     13.27722700           283.24470600
            2      8.39951800            62.39646100
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            p-f potential
              8
            2     10.66568200            71.99171600
            2      9.28375300           143.97187100
            2      6.87274900             4.94961500
            2      6.32615000             9.74049900
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            d-f potential
              8
            2      8.21486600            36.37838300
            2      8.00869600            54.56271500
            2      5.05522700             9.88949900
            2      4.78255300            14.69387700
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            -AT     0
            AT-ECP     3     60
            f potential
              4
            2      5.81216300            19.87019800
            2      5.75371500            26.41645200
            2      2.51347200             0.99497000
            2      2.53626100             1.49070100
            s-f potential
              7
            2     30.20083200            49.95715800
            2     13.61230600           283.21037100
            2      8.52934000            62.28105200
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            p-f potential
              8
            2     10.85406500            71.98237100
            2      9.46822900           143.90353200
            2      7.03111400             4.87175900
            2      6.14385800             8.98305900
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            d-f potential
              8
            2      8.31351500            36.36323700
            2      7.99896500            54.54897000
            2      5.17996600             9.77628500
            2      4.94222600            14.26475500
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            -RN     0
            RN-ECP     3     60
            f potential
              4
            2      6.34857100            21.79729000
            2      6.29594900            28.94680500
            2      2.88211800             1.44736500
            2      2.90804800             2.17796400
            s-f potential
              7
            2     30.15124200            49.96555100
            2     14.52124100           283.07000000
            2      8.05203800            62.00287000
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            p-f potential
              8
            2     11.00994200            71.96911900
            2      9.61762500           143.86055900
            2      7.33600800             4.71476100
            2      6.40625300             9.01306500
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            d-f potential
              8
            2      8.36922000            36.36836500
            2      8.11697500            54.55176100
            2      5.35365600             9.63448700
            2      5.09721200            14.38790200
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/B3LYPDBJ_def2SVPD/23_tartaric_acid_180_STD/Gau-25913.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/B3LYPDBJ_def2SVPD/23_tartaric_acid_180_STD/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     25915.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                16-Jul-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=42GB
 %chk=23_tartaric_acid_180_STD_B3LYPDBJ-def2SVPDr
 ----------------------------------------------------------------------
 #P B3LYP/Gen EmpiricalDispersion=GD3BJ Integral=UltraFineGrid SCF=(NoS
 ymm,MaxCyc=120) Polar=ROA Guess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-5,75=-5,116=-2,124=41/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Fri Jul 16 13:10:02 2021, MaxMem=  5637144576 cpu:               1.2 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "23_tartaric_acid_180_STD_B3LYPDBJ-def2SVPDr.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                 1.590679000000     -0.628285000000     -0.073741000000
  O                                                 1.211559000000     -1.775276000000      0.013291000000
  O                                                 2.868849000000     -0.318264000000      0.051126000000
  C                                                 0.664406000000      0.550522000000     -0.353134000000
  C                                                -0.685188000000      0.564721000000      0.381775000000
  C                                                -1.733895000000     -0.516464000000      0.037464000000
  O                                                -2.859483000000     -0.150461000000     -0.205746000000
  O                                                 1.393505000000      1.714785000000      0.033235000000
  O                                                -1.246997000000      1.824753000000      0.059042000000
  O                                                -1.388076000000     -1.783485000000      0.060653000000
  H                                                 0.467689000000      0.633094000000     -1.429180000000
  H                                                -0.485201000000      0.574611000000      1.460886000000
  H                                                -0.398921000000     -1.894520000000      0.109807000000
  H                                                 2.947109000000      0.655108000000      0.032070000000
  H                                                 0.799648000000      2.471836000000     -0.067292000000
  H                                                -2.181205000000      1.640492000000     -0.153284000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     16 NQM=       16 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          16          16          12          12          12          16          16          16          16
 AtmWgt=  12.0000000  15.9949146  15.9949146  12.0000000  12.0000000  12.0000000  15.9949146  15.9949146  15.9949146  15.9949146
 NucSpn=           0           0           0           0           0           0           0           0           0           0
 AtZEff=   3.6000000   5.6000000   5.6000000   3.6000000   3.6000000   3.6000000   5.6000000   5.6000000   5.6000000   5.6000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 AtZNuc=   6.0000000   8.0000000   8.0000000   6.0000000   6.0000000   6.0000000   8.0000000   8.0000000   8.0000000   8.0000000

  Atom        11          12          13          14          15          16
 IAtWgt=           1           1           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.088559
 Leave Link  101 at Fri Jul 16 13:10:03 2021, MaxMem=  5637144576 cpu:               1.6 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        1.590679   -0.628285   -0.073741
      2          8           0        1.211559   -1.775276    0.013291
      3          8           0        2.868849   -0.318264    0.051126
      4          6           0        0.664406    0.550522   -0.353134
      5          6           0       -0.685188    0.564721    0.381775
      6          6           0       -1.733895   -0.516464    0.037464
      7          8           0       -2.859483   -0.150461   -0.205746
      8          8           0        1.393505    1.714785    0.033235
      9          8           0       -1.246997    1.824753    0.059042
     10          8           0       -1.388076   -1.783485    0.060653
     11          1           0        0.467689    0.633094   -1.429180
     12          1           0       -0.485201    0.574611    1.460886
     13          1           0       -0.398921   -1.894520    0.109807
     14          1           0        2.947109    0.655108    0.032070
     15          1           0        0.799648    2.471836   -0.067292
     16          1           0       -2.181205    1.640492   -0.153284
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  O    1.211154   0.000000
     3  O    1.321145   2.207017   0.000000
     4  C    1.525001   2.417226   2.403702   0.000000
     5  C    2.609661   3.034636   3.676978   1.536781   0.000000
     6  C    3.328312   3.203263   4.607030   2.653841   1.545088
     7  O    4.477687   4.388779   5.736543   3.595955   2.363096
     8  O    2.353784   3.494857   2.512021   1.427016   2.401061
     9  O    3.753323   4.359679   4.640342   2.333884   1.416851
    10  O    3.197738   2.600079   4.502041   3.135521   2.472093
    11  H    2.165502   2.904189   2.976904   1.096992   2.147873
    12  H    2.848037   3.239829   3.746238   2.147753   1.097530
    13  H    2.365491   1.617770   3.628546   2.706143   2.490739
    14  H    1.870346   2.986512   0.976699   2.317338   3.650212
    15  H    3.199456   4.267801   3.475669   1.947163   2.458350
    16  H    4.402361   4.817267   5.420475   3.053764   1.918760
                    6          7          8          9         10
     6  C    0.000000
     7  O    1.208328   0.000000
     8  O    3.841760   4.650179   0.000000
     9  O    2.391408   2.563532   2.642917   0.000000
    10  O    1.313572   2.214221   4.469434   3.610995   0.000000
    11  H    2.884354   3.630540   2.041041   2.564177   3.391654
    12  H    2.185363   2.990085   2.620634   2.026908   2.887292
    13  H    1.920007   3.032438   4.030600   3.815076   0.996580
    14  H    4.825392   5.867027   1.880586   4.354230   4.974071
    15  H    3.919152   4.503871   0.967418   2.150217   4.786467
    16  H    2.211093   1.915809   3.580344   0.975592   3.521142
                   11         12         13         14         15
    11  H    0.000000
    12  H    3.043666   0.000000
    13  H    3.083557   2.815931   0.000000
    14  H    2.878065   3.718702   4.207441   0.000000
    15  H    2.312122   2.754202   4.531335   2.814598   0.000000
    16  H    3.107958   2.572562   3.967627   5.225413   3.095806
                   16
    16  H    0.000000
 Stoichiometry    C4H6O6
 Framework group  C1[X(C4H6O6)]
 Deg. of freedom    42
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 2.29D-16
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        1.590679   -0.628285   -0.073741
      2          8           0        1.211559   -1.775276    0.013291
      3          8           0        2.868849   -0.318265    0.051126
      4          6           0        0.664406    0.550522   -0.353134
      5          6           0       -0.685188    0.564721    0.381775
      6          6           0       -1.733895   -0.516464    0.037464
      7          8           0       -2.859483   -0.150460   -0.205746
      8          8           0        1.393506    1.714785    0.033235
      9          8           0       -1.246996    1.824753    0.059042
     10          8           0       -1.388076   -1.783485    0.060653
     11          1           0        0.467689    0.633094   -1.429180
     12          1           0       -0.485201    0.574611    1.460886
     13          1           0       -0.398921   -1.894520    0.109807
     14          1           0        2.947109    0.655107    0.032070
     15          1           0        0.799649    2.471836   -0.067292
     16          1           0       -2.181204    1.640493   -0.153284
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           2.0975833           1.0678559           0.7247209
 Leave Link  202 at Fri Jul 16 13:10:03 2021, MaxMem=  5637144576 cpu:               0.5 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:      11     12     13     14     15     16
 S 3 1.00
     Exponent=  1.3010701000D+01 Coefficients=  1.9682158000D-02
     Exponent=  1.9622572000D+00 Coefficients=  1.3796524000D-01
     Exponent=  4.4453796000D-01 Coefficients=  4.7831935000D-01
 S 1 1.00
     Exponent=  1.2194962000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.1704099050D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      4      5      6
 S 5 1.00
     Exponent=  1.2384016938D+03 Coefficients=  5.4568832082D-03
     Exponent=  1.8629004992D+02 Coefficients=  4.0638409211D-02
     Exponent=  4.2251176346D+01 Coefficients=  1.8025593888D-01
     Exponent=  1.1676557932D+01 Coefficients=  4.6315121755D-01
     Exponent=  3.5930506482D+00 Coefficients=  4.4087173314D-01
 S 1 1.00
     Exponent=  4.0245147363D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.3090182668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  6.7053540256D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  9.4680970621D+00 Coefficients=  3.8387871728D-02
     Exponent=  2.0103545142D+00 Coefficients=  2.1117025112D-01
     Exponent=  5.4771004707D-01 Coefficients=  5.1328172114D-01
 P 1 1.00
     Exponent=  1.5268613795D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1713185140D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       2      3      7      8      9     10
 S 5 1.00
     Exponent=  2.2661767785D+03 Coefficients= -5.3431809926D-03
     Exponent=  3.4087010191D+02 Coefficients= -3.9890039230D-02
     Exponent=  7.7363135167D+01 Coefficients= -1.7853911985D-01
     Exponent=  2.1479644940D+01 Coefficients= -4.6427684959D-01
     Exponent=  6.6589433124D+00 Coefficients= -4.4309745172D-01
 S 1 1.00
     Exponent=  8.0975975668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.5530772234D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.6572453250D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  1.7721504317D+01 Coefficients=  4.3394573193D-02
     Exponent=  3.8635505440D+00 Coefficients=  2.3094120765D-01
     Exponent=  1.0480920883D+00 Coefficients=  5.1375311064D-01
 P 1 1.00
     Exponent=  2.7641544411D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.9002276350D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.2000000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.7992024323D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 There are   286 symmetry adapted cartesian basis functions of A   symmetry.
 There are   266 symmetry adapted basis functions of A   symmetry.
   266 basis functions,   398 primitive gaussians,   286 cartesian basis functions
    39 alpha electrons       39 beta electrons
       nuclear repulsion energy       580.0099000626 Hartrees.
 IExCor=  402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX=  0.200000
 ScaDFX=  0.800000  0.720000  1.000000  0.810000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=141
 NAtoms=   16 NActive=   16 NUniq=   16 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D3(BJ) Dispersion energy=       -0.0250058849 Hartrees.
 Nuclear repulsion after empirical dispersion term =      579.9848941777 Hartrees.
 Leave Link  301 at Fri Jul 16 13:10:05 2021, MaxMem=  5637144576 cpu:               9.6 elap:               1.7
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   266 RedAO= T EigKep=  3.77D-05  NBF=   266
 NBsUse=   266 1.00D-06 EigRej= -1.00D+00 NBFU=   266
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   286   286   286   286   286 MxSgAt=    16 MxSgA2=    16.
 Leave Link  302 at Fri Jul 16 13:10:06 2021, MaxMem=  5637144576 cpu:               4.1 elap:               0.7
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Fri Jul 16 13:10:07 2021, MaxMem=  5637144576 cpu:               1.5 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "23_tartaric_acid_180_STD_B3LYPDBJ-def2SVPDr.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=    -0.000000   -0.000000    0.000000
         Rot=    1.000000    0.000000   -0.000000   -0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Fri Jul 16 13:10:08 2021, MaxMem=  5637144576 cpu:               4.0 elap:               0.7
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5637144576 LenX=  5636975936 LenY=  5636893699
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf= 980000000 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=         0 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -607.020273522394    
 DIIS: error= 3.12D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -607.020273522394     IErMin= 1 ErrMin= 3.12D-03
 ErrMax= 3.12D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.48D-02 BMatP= 1.48D-02
 IDIUse=3 WtCom= 9.69D-01 WtEn= 3.12D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.256 Goal=   None    Shift=    0.000
 GapD=    0.256 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=5.04D-03 MaxDP=1.59D-01              OVMax= 1.67D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  5.03D-03    CP:  1.01D+00
 E= -607.032789981485     Delta-E=       -0.012516459091 Rises=F Damp=F
 DIIS: error= 9.26D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -607.032789981485     IErMin= 2 ErrMin= 9.26D-04
 ErrMax= 9.26D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.04D-03 BMatP= 1.48D-02
 IDIUse=3 WtCom= 9.91D-01 WtEn= 9.26D-03
 Coeff-Com:  0.890D-01 0.911D+00
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:      0.882D-01 0.912D+00
 Gap=     0.258 Goal=   None    Shift=    0.000
 RMSDP=3.29D-04 MaxDP=8.61D-03 DE=-1.25D-02 OVMax= 6.98D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  2.97D-04    CP:  1.01D+00  1.03D+00
 E= -607.032525978985     Delta-E=        0.000264002500 Rises=F Damp=F
 DIIS: error= 1.01D-03 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 2 EnMin= -607.032789981485     IErMin= 2 ErrMin= 9.26D-04
 ErrMax= 1.01D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.50D-03 BMatP= 1.04D-03
 IDIUse=3 WtCom= 2.39D-01 WtEn= 7.61D-01
 Coeff-Com: -0.151D-01 0.551D+00 0.464D+00
 Coeff-En:   0.000D+00 0.566D+00 0.434D+00
 Coeff:     -0.363D-02 0.562D+00 0.442D+00
 Gap=     0.255 Goal=   None    Shift=    0.000
 RMSDP=1.64D-04 MaxDP=6.41D-03 DE= 2.64D-04 OVMax= 4.89D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  9.44D-05    CP:  1.01D+00  1.04D+00  5.95D-01
 E= -607.033540608920     Delta-E=       -0.001014629935 Rises=F Damp=F
 DIIS: error= 2.17D-04 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -607.033540608920     IErMin= 4 ErrMin= 2.17D-04
 ErrMax= 2.17D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.63D-05 BMatP= 1.04D-03
 IDIUse=3 WtCom= 9.98D-01 WtEn= 2.17D-03
 Coeff-Com: -0.121D-01 0.283D+00 0.252D+00 0.477D+00
 Coeff-En:   0.000D+00 0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.121D-01 0.282D+00 0.252D+00 0.478D+00
 Gap=     0.256 Goal=   None    Shift=    0.000
 RMSDP=4.48D-05 MaxDP=2.32D-03 DE=-1.01D-03 OVMax= 1.13D-03

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  3.43D-05    CP:  1.01D+00  1.04D+00  6.17D-01  7.60D-01
 E= -607.033572038234     Delta-E=       -0.000031429314 Rises=F Damp=F
 DIIS: error= 3.85D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -607.033572038234     IErMin= 5 ErrMin= 3.85D-05
 ErrMax= 3.85D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.66D-06 BMatP= 3.63D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.537D-02 0.113D+00 0.103D+00 0.238D+00 0.550D+00
 Coeff:     -0.537D-02 0.113D+00 0.103D+00 0.238D+00 0.550D+00
 Gap=     0.255 Goal=   None    Shift=    0.000
 RMSDP=7.65D-06 MaxDP=4.04D-04 DE=-3.14D-05 OVMax= 6.90D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  7.47D-06    CP:  1.01D+00  1.04D+00  6.19D-01  7.72D-01  9.72D-01
 E= -607.033572769284     Delta-E=       -0.000000731050 Rises=F Damp=F
 DIIS: error= 3.07D-05 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -607.033572769284     IErMin= 6 ErrMin= 3.07D-05
 ErrMax= 3.07D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.44D-07 BMatP= 1.66D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.329D-03-0.466D-03 0.141D-02 0.327D-01 0.413D+00 0.553D+00
 Coeff:     -0.329D-03-0.466D-03 0.141D-02 0.327D-01 0.413D+00 0.553D+00
 Gap=     0.255 Goal=   None    Shift=    0.000
 RMSDP=3.70D-06 MaxDP=1.60D-04 DE=-7.31D-07 OVMax= 2.81D-04

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  2.01D-06    CP:  1.01D+00  1.04D+00  6.22D-01  7.83D-01  9.90D-01
                    CP:  6.62D-01
 E= -607.033573337150     Delta-E=       -0.000000567866 Rises=F Damp=F
 DIIS: error= 3.13D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -607.033573337150     IErMin= 7 ErrMin= 3.13D-06
 ErrMax= 3.13D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.51D-09 BMatP= 7.44D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.530D-04-0.368D-02-0.273D-02 0.330D-02 0.135D+00 0.201D+00
 Coeff-Com:  0.667D+00
 Coeff:      0.530D-04-0.368D-02-0.273D-02 0.330D-02 0.135D+00 0.201D+00
 Coeff:      0.667D+00
 Gap=     0.255 Goal=   None    Shift=    0.000
 RMSDP=7.44D-07 MaxDP=2.54D-05 DE=-5.68D-07 OVMax= 1.80D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  5.90D-07    CP:  1.01D+00  1.04D+00  6.22D-01  7.83D-01  9.98D-01
                    CP:  6.54D-01  8.62D-01
 E= -607.033573341365     Delta-E=       -0.000000004214 Rises=F Damp=F
 DIIS: error= 1.59D-06 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -607.033573341365     IErMin= 8 ErrMin= 1.59D-06
 ErrMax= 1.59D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.99D-09 BMatP= 6.51D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.540D-04-0.188D-02-0.156D-02-0.128D-02 0.372D-01 0.613D-01
 Coeff-Com:  0.387D+00 0.520D+00
 Coeff:      0.540D-04-0.188D-02-0.156D-02-0.128D-02 0.372D-01 0.613D-01
 Coeff:      0.387D+00 0.520D+00
 Gap=     0.255 Goal=   None    Shift=    0.000
 RMSDP=2.58D-07 MaxDP=8.19D-06 DE=-4.21D-09 OVMax= 1.05D-05

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  2.10D-07    CP:  1.01D+00  1.04D+00  6.22D-01  7.83D-01  9.99D-01
                    CP:  6.57D-01  8.71D-01  7.63D-01
 E= -607.033573342851     Delta-E=       -0.000000001486 Rises=F Damp=F
 DIIS: error= 4.80D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -607.033573342851     IErMin= 9 ErrMin= 4.80D-07
 ErrMax= 4.80D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.95D-10 BMatP= 1.99D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.293D-04-0.857D-03-0.742D-03-0.116D-02 0.113D-01 0.202D-01
 Coeff-Com:  0.173D+00 0.306D+00 0.492D+00
 Coeff:      0.293D-04-0.857D-03-0.742D-03-0.116D-02 0.113D-01 0.202D-01
 Coeff:      0.173D+00 0.306D+00 0.492D+00
 Gap=     0.255 Goal=   None    Shift=    0.000
 RMSDP=8.26D-08 MaxDP=3.19D-06 DE=-1.49D-09 OVMax= 4.44D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  6.58D-08    CP:  1.01D+00  1.04D+00  6.22D-01  7.83D-01  9.99D-01
                    CP:  6.58D-01  8.81D-01  7.64D-01  8.14D-01
 E= -607.033573342978     Delta-E=       -0.000000000127 Rises=F Damp=F
 DIIS: error= 1.69D-07 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -607.033573342978     IErMin=10 ErrMin= 1.69D-07
 ErrMax= 1.69D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.64D-11 BMatP= 1.95D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.676D-05-0.153D-03-0.145D-03-0.506D-03-0.152D-03 0.637D-03
 Coeff-Com:  0.366D-01 0.964D-01 0.295D+00 0.572D+00
 Coeff:      0.676D-05-0.153D-03-0.145D-03-0.506D-03-0.152D-03 0.637D-03
 Coeff:      0.366D-01 0.964D-01 0.295D+00 0.572D+00
 Gap=     0.255 Goal=   None    Shift=    0.000
 RMSDP=3.12D-08 MaxDP=1.11D-06 DE=-1.27D-10 OVMax= 1.57D-06

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  1.98D-08    CP:  1.01D+00  1.04D+00  6.22D-01  7.83D-01  9.99D-01
                    CP:  6.58D-01  8.85D-01  7.73D-01  8.01D-01  6.76D-01
 E= -607.033573342990     Delta-E=       -0.000000000012 Rises=F Damp=F
 DIIS: error= 4.95D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -607.033573342990     IErMin=11 ErrMin= 4.95D-08
 ErrMax= 4.95D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.68D-12 BMatP= 2.64D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.172D-05-0.248D-04-0.273D-04-0.210D-03-0.838D-03-0.109D-02
 Coeff-Com:  0.822D-02 0.319D-01 0.125D+00 0.330D+00 0.506D+00
 Coeff:      0.172D-05-0.248D-04-0.273D-04-0.210D-03-0.838D-03-0.109D-02
 Coeff:      0.822D-02 0.319D-01 0.125D+00 0.330D+00 0.506D+00
 Gap=     0.255 Goal=   None    Shift=    0.000
 RMSDP=8.08D-09 MaxDP=2.42D-07 DE=-1.18D-11 OVMax= 3.02D-07

 SCF Done:  E(RB3LYP) =  -607.033573343     A.U. after   11 cycles
            NFock= 11  Conv=0.81D-08     -V/T= 2.0087
 KE= 6.017714702886D+02 PE=-2.583387987760D+03 EE= 7.945980499506D+02
 Leave Link  502 at Fri Jul 16 13:11:30 2021, MaxMem=  5637144576 cpu:             653.2 elap:              81.9
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   266
 NBasis=   266 NAE=    39 NBE=    39 NFC=     0 NFV=     0
 NROrb=    266 NOA=    39 NOB=    39 NVA=   227 NVB=   227

 **** Warning!!: The largest alpha MO coefficient is  0.28998163D+02

 Leave Link  801 at Fri Jul 16 13:11:30 2021, MaxMem=  5637144576 cpu:               0.7 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         4853 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    5637144576 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.088559
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          16
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 1.48D-13 8.33D-09 XBig12= 1.00D+00 3.47D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 1.48D-13 8.33D-09 XBig12= 4.13D-01 1.21D-01.
     11 vectors produced by pass  2 Test12= 1.48D-13 8.33D-09 XBig12= 8.28D-02 7.04D-02.
     11 vectors produced by pass  3 Test12= 1.48D-13 8.33D-09 XBig12= 9.95D-03 1.22D-02.
     11 vectors produced by pass  4 Test12= 1.48D-13 8.33D-09 XBig12= 8.15D-04 4.94D-03.
     11 vectors produced by pass  5 Test12= 1.48D-13 8.33D-09 XBig12= 2.68D-05 1.16D-03.
     11 vectors produced by pass  6 Test12= 1.48D-13 8.33D-09 XBig12= 4.40D-07 1.02D-04.
     11 vectors produced by pass  7 Test12= 1.48D-13 8.33D-09 XBig12= 6.20D-09 1.20D-05.
     11 vectors produced by pass  8 Test12= 1.48D-13 8.33D-09 XBig12= 7.08D-11 1.16D-06.
      7 vectors produced by pass  9 Test12= 1.48D-13 8.33D-09 XBig12= 4.60D-13 9.49D-08.
      1 vectors produced by pass 10 Test12= 1.48D-13 8.33D-09 XBig12= 2.36D-15 8.67D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 2.84D-14
 Solved reduced A of dimension   107 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.088559:
                1             2             3 
      1  0.886837D+02
      2  0.626251D+00  0.791257D+02
      3  0.251348D+01 -0.963643D+00  0.534051D+02
 Isotropic polarizability for W=    0.088559       73.74 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.088559:
                 1             2             3 
      1  -0.107612D+02  0.151681D+02 -0.847149D+01
      2   0.445993D+01 -0.788587D+01  0.554518D+01
      3   0.630123D+01 -0.728219D+01  0.292631D+01
      4   0.178223D+02 -0.398892D+01 -0.782180D-01
      5  -0.805889D+01  0.509685D+00 -0.459675D+01
      6  -0.589192D+00  0.122872D+01  0.154403D+02
 Dipole-magnetic dipole polarizability for W=    0.088559:
                 1             2             3 
      1   0.247176D+01 -0.106976D+01 -0.637443D+01
      2  -0.291673D+01 -0.128671D+01 -0.412047D+01
      3  -0.119674D+02 -0.905159D+00 -0.405590D+00
 DQ contribution to OR G for W=    0.088559:
                 1             2             3 
      1   0.587903D+00 -0.431646D+01 -0.227224D+02
      2  -0.412601D+00  0.510974D+00 -0.108980D+02
      3   0.265422D+01  0.844885D+01 -0.109888D+01
 Optical Rotation G' tensor for W=    0.088559:
                 1             2             3 
      1  -0.699176D+00  0.405490D+00  0.207692D+01
      2   0.405490D+00  0.116083D+01  0.950265D+00
      3   0.207692D+01  0.950265D+00  0.317804D+00
 OR G Eigenvalues:    -2.3508     0.4988     2.6314  Iso=    -0.2598
 Eigenvectors:
   (1)   0.772305   0.081310  -0.630027
   (2)  -0.410255   0.821055  -0.396938
   (3)   0.485011   0.565029   0.667462
 w=    0.088559 a.u., Optical Rotation Beta=     -0.2598 au.
 Molar Mass =    150.0878 grams/mole, [Alpha] ( 5145.0 A) =      -87.78 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   35511 ScalPx= 3.32D+01
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   35511 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 1.41D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 2.46D-14 2.78D-09 XBig12= 1.00D+00 4.62D-01.
     30 vectors produced by pass  1 Test12= 2.46D-14 2.78D-09 XBig12= 6.07D-02 8.04D-02.
     30 vectors produced by pass  2 Test12= 2.46D-14 2.78D-09 XBig12= 7.01D-04 5.80D-03.
     30 vectors produced by pass  3 Test12= 2.46D-14 2.78D-09 XBig12= 9.85D-06 5.81D-04.
     30 vectors produced by pass  4 Test12= 2.46D-14 2.78D-09 XBig12= 8.45D-08 3.54D-05.
     30 vectors produced by pass  5 Test12= 2.46D-14 2.78D-09 XBig12= 4.02D-10 1.58D-06.
     30 vectors produced by pass  6 Test12= 2.46D-14 2.78D-09 XBig12= 7.97D-13 1.00D-07.
      3 vectors produced by pass  7 Test12= 2.46D-14 2.78D-09 XBig12= 1.22D-15 3.79D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 2.22D-15
 Solved reduced A of dimension   213 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   35511 ScalPx= 8.63D+02
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   35511 ScalPx= 8.63D+02
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   35511 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 9.11D+02
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.886837D+02  0.626251D+00  0.251348D+01
      2   0.626251D+00  0.791257D+02 -0.963643D+00
      3   0.251348D+01 -0.963643D+00  0.534051D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1   0.247176D+01 -0.106976D+01 -0.637443D+01
      2  -0.291673D+01 -0.128671D+01 -0.412047D+01
      3  -0.119674D+02 -0.905159D+00 -0.405590D+00
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1  -0.107612D+02  0.151681D+02 -0.847149D+01
      2   0.445993D+01 -0.788587D+01  0.554518D+01
      3   0.630123D+01 -0.728219D+01  0.292631D+01
      4   0.178223D+02 -0.398892D+01 -0.782180D-01
      5  -0.805889D+01  0.509685D+00 -0.459675D+01
      6  -0.589192D+00  0.122872D+01  0.154403D+02
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    48 ND12= 1 LenFil=    1731:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.268178D+01 -0.815745D+00 -0.183478D+00  0.280373D+01  0.189808D+01
      2  -0.815745D+00  0.256538D+01  0.118469D+00  0.189808D+01  0.563912D+01
      3  -0.183478D+00  0.118469D+00  0.520565D+00 -0.778728D-01 -0.474791D+00
                 6             7             8             9            10 
      1  -0.778728D-01 -0.100695D+01  0.770570D+00  0.443267D+00 -0.280031D+01
      2  -0.474791D+00  0.770570D+00 -0.650970D+00  0.224822D+00 -0.210048D+01
      3   0.175440D+00  0.443267D+00  0.224822D+00 -0.598350D+00  0.196392D+00
                11            12            13            14            15 
      1  -0.210048D+01  0.196392D+00 -0.584365D+01 -0.503522D+00  0.119251D+00
      2  -0.130570D+01  0.145062D+00 -0.503522D+00 -0.118657D+02  0.454908D+00
      3   0.145062D+00 -0.572690D+00  0.119251D+00  0.454908D+00 -0.188133D+01
                16            17            18            19            20 
      1   0.276282D+00  0.549400D-01 -0.466818D+00  0.983357D+01 -0.343166D+00
      2   0.549400D-01  0.441891D+00 -0.267585D+01 -0.343166D+00  0.385699D+00
      3  -0.466818D+00 -0.267585D+01  0.517059D+00  0.294430D+00  0.984191D-01
                21            22            23            24            25 
      1   0.294430D+00 -0.265048D+01  0.965311D+00  0.456004D-01  0.132098D+01
      2   0.984191D-01  0.965311D+00 -0.384733D+01  0.125047D+00 -0.354444D+00
      3   0.118554D+01  0.456004D-01  0.125047D+00 -0.153577D+00  0.235572D+01
                26            27            28            29            30 
      1  -0.354444D+00  0.235572D+01  0.433052D+01 -0.113690D+01 -0.584764D+00
      2   0.236503D+00  0.175517D+00 -0.113690D+01 -0.153063D+01 -0.487555D+00
      3   0.175517D+00  0.432088D+00 -0.584764D+00 -0.487555D+00  0.159158D+01
                31            32            33            34            35 
      1  -0.175501D+01 -0.246234D+01  0.119687D+00 -0.184581D+01 -0.106479D+01
      2  -0.246234D+01 -0.249484D+01 -0.261812D+00 -0.106479D+01  0.139275D+00
      3   0.119687D+00 -0.261812D+00  0.123143D+00  0.180628D+01 -0.631532D+00
                36            37            38            39            40 
      1   0.180628D+01 -0.484941D+01  0.142057D+01  0.280105D+00 -0.990034D+00
      2  -0.631532D+00  0.142057D+01  0.183253D+01  0.114228D-01  0.231671D+01
      3   0.694770D+01  0.280105D+00  0.114228D-01 -0.149746D+01  0.213837D+00
                41            42            43            44            45 
      1   0.231671D+01  0.213837D+00  0.937194D+00 -0.933668D+00 -0.201676D+01
      2  -0.106005D+01  0.372766D+00 -0.933668D+00  0.381915D+00  0.606953D+00
      3   0.372766D+00  0.770404D+00 -0.201676D+01  0.606953D+00 -0.721577D+01
                46            47            48            49            50 
      1   0.726758D+01 -0.247535D+01  0.117840D+01 -0.473624D+01 -0.175405D+01
      2  -0.247535D+01  0.119098D+01 -0.970285D-02 -0.175405D+01  0.518666D+00
      3   0.117840D+01 -0.970285D-02  0.648825D+00 -0.265085D+00 -0.329625D+00
                51            52            53            54            55 
      1  -0.265085D+00  0.208398D+01  0.241609D+00  0.320614D+00 -0.155146D+02
      2  -0.329625D+00  0.241609D+00  0.441781D+00 -0.584530D+00  0.146493D+01
      3  -0.875630D+00  0.320614D+00 -0.584530D+00  0.877522D+00 -0.141990D+01
                56            57            58            59            60 
      1   0.146493D+01 -0.141990D+01  0.204338D+01 -0.212097D+01  0.134863D+00
      2  -0.400016D+01  0.152402D+00 -0.212097D+01  0.187168D+01 -0.319378D+00
      3   0.152402D+00 -0.234250D+01  0.134863D+00 -0.319378D+00  0.829359D+00
                61            62            63            64            65 
      1  -0.225010D+01 -0.708349D-01 -0.354041D+01  0.551139D+01  0.161278D+01
      2  -0.708349D-01 -0.887863D+00  0.496601D+00  0.161278D+01  0.487117D+01
      3  -0.354041D+01  0.496601D+00 -0.166490D+01  0.498151D+00  0.219368D-01
                66            67            68            69            70 
      1   0.498151D+00  0.820010D+00  0.391733D+01 -0.187927D+00  0.116829D+01
      2   0.219368D-01  0.391733D+01  0.146188D+01  0.419724D+00  0.523122D+00
      3   0.511328D-01 -0.187927D+00  0.419724D+00 -0.399220D+00  0.639332D+00
                71            72            73            74            75 
      1   0.523122D+00  0.639332D+00  0.262662D+01  0.154874D+01  0.222801D+00
      2   0.125318D+01  0.109895D+01  0.154874D+01  0.164950D+01 -0.286295D+00
      3   0.109895D+01  0.136423D+00  0.222801D+00 -0.286295D+00  0.898648D+00
                76            77            78            79            80 
      1   0.244529D+01 -0.160100D+01 -0.439369D+00  0.781087D+00  0.509511D-01
      2  -0.160100D+01  0.729794D+01  0.133052D+00  0.509511D-01  0.383875D+00
      3  -0.439369D+00  0.133052D+00  0.138687D+00 -0.233130D+00  0.120054D+01
                81            82            83            84            85 
      1  -0.233130D+00 -0.860466D+01 -0.142938D+01  0.274580D-01  0.998816D+00
      2   0.120054D+01 -0.142938D+01 -0.142786D+01  0.155629D+00 -0.344960D+00
      3   0.431879D+00  0.274580D-01  0.155629D+00 -0.140120D+00  0.268635D+00
                86            87            88            89            90 
      1  -0.344960D+00  0.268635D+00 -0.260113D+00  0.170468D+00  0.129749D+00
      2  -0.782095D+01  0.112231D+00  0.170468D+00 -0.200300D+00 -0.199535D+01
      3   0.112231D+00 -0.102641D+01  0.129749D+00 -0.199535D+01  0.101154D+00
                91            92            93            94            95 
      1  -0.169720D+01  0.145594D+00 -0.112816D+01  0.302621D+00  0.429919D+00
      2   0.145594D+00  0.463066D-02  0.563727D-01  0.429919D+00  0.697366D+00
      3  -0.112816D+01  0.563727D-01 -0.138397D+01 -0.974368D-01 -0.118406D+01
                96            97            98            99           100 
      1  -0.974368D-01 -0.144917D+01  0.307609D+00 -0.669184D+00  0.174082D+01
      2  -0.118406D+01  0.307609D+00 -0.189593D+01  0.678090D+00 -0.244423D+00
      3   0.598973D+00 -0.669184D+00  0.678090D+00 -0.825978D+01  0.122143D+01
               101           102           103           104           105 
      1  -0.244423D+00  0.122143D+01 -0.181554D+00 -0.371888D+00 -0.135768D-01
      2  -0.150988D+00 -0.461198D-01 -0.371888D+00  0.304288D+00  0.115044D+01
      3  -0.461198D-01  0.142620D+01 -0.135768D-01  0.115044D+01  0.273636D+00
               106           107           108           109           110 
      1   0.176009D+01  0.244447D+00  0.107939D+01  0.953397D+01 -0.538396D+00
      2   0.244447D+00  0.157114D+01  0.117251D+00 -0.538396D+00  0.143286D+01
      3   0.107939D+01  0.117251D+00  0.862586D+01 -0.105994D+00 -0.964900D-01
               111           112           113           114           115 
      1  -0.105994D+00 -0.339228D+00  0.343835D+00 -0.715803D-01  0.338843D+00
      2  -0.964900D-01  0.343835D+00 -0.180164D+01  0.952696D-01 -0.110019D+00
      3   0.385604D+00 -0.715803D-01  0.952696D-01 -0.532672D+00 -0.366639D-01
               116           117           118           119           120 
      1  -0.110019D+00 -0.366639D-01  0.226549D+01  0.142986D+01  0.280867D-01
      2   0.246639D+00 -0.562704D+00  0.142986D+01  0.807844D+00  0.388906D-01
      3  -0.562704D+00  0.127921D+00  0.280867D-01  0.388906D-01  0.724164D+00
               121           122           123           124           125 
      1   0.416156D+01  0.110068D+01  0.112714D+00 -0.149108D+00  0.258007D-01
      2   0.110068D+01  0.463055D+01 -0.313125D-01  0.258007D-01 -0.525566D-01
      3   0.112714D+00 -0.313125D-01  0.592934D+00  0.722964D+00  0.383689D+00
               126           127           128           129           130 
      1   0.722964D+00 -0.177532D+01  0.773720D+00 -0.329648D-01  0.218789D+01
      2   0.383689D+00  0.773720D+00 -0.263000D+01 -0.104670D-01 -0.912804D+00
      3   0.923460D-01 -0.329648D-01 -0.104670D-01 -0.235802D+00  0.214347D-01
               131           132           133           134           135 
      1  -0.912804D+00  0.214347D-01 -0.408291D+00  0.493806D-01  0.112135D+00
      2   0.667827D+01 -0.153720D+00  0.493806D-01 -0.574203D+00  0.904618D+00
      3  -0.153720D+00  0.110250D+01  0.112135D+00  0.904618D+00 -0.516803D-01
               136           137           138           139           140 
      1  -0.518667D+01  0.687647D+00 -0.491993D+00  0.732906D+00 -0.900344D+00
      2   0.687647D+00 -0.369526D+01  0.138026D+00 -0.900344D+00 -0.209270D+00
      3  -0.491993D+00  0.138026D+00 -0.125972D+01  0.116826D+00 -0.108732D+00
               141           142           143           144 
      1   0.116826D+00 -0.129720D+01  0.948635D-01 -0.646482D+00
      2  -0.108732D+00  0.948635D-01 -0.834378D+00  0.562933D+00
      3   0.263766D+00 -0.646482D+00  0.562933D+00 -0.499484D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.201642D+00 -0.433861D+00  0.111560D+01 -0.283702D+01  0.929627D+00
      2   0.122626D+01 -0.167026D+01 -0.550818D+01 -0.275817D+01 -0.507653D+00
      3   0.785940D+00 -0.483045D+01  0.876224D+00 -0.898720D+01 -0.646765D+01
                 6             7             8             9            10 
      1   0.829978D+01 -0.813227D+00  0.105789D+02 -0.195680D+01  0.446891D+00
      2   0.255023D+00 -0.144615D+02  0.300699D+01 -0.289344D+01 -0.291670D+00
      3   0.158825D+01  0.328951D+01  0.180207D+01 -0.180496D+01  0.742206D+01
                11            12            13            14            15 
      1   0.407211D+00 -0.758544D+00  0.262391D+00  0.171468D+01 -0.107138D+02
      2   0.241492D+00  0.354383D+01  0.105183D+00  0.633798D+00 -0.163292D+01
      3  -0.113681D+01 -0.715059D+00  0.190342D+02  0.174835D+02 -0.108701D+01
                16            17            18            19            20 
      1   0.150546D+01 -0.593401D+00  0.128191D+01  0.529964D+00 -0.117904D+00
      2  -0.265036D+01 -0.523349D+01  0.115379D+01  0.145206D+01  0.160968D+00
      3  -0.171256D+01 -0.479391D+00  0.526748D+01 -0.278535D+01 -0.793285D+01
                21            22            23            24            25 
      1  -0.180554D+00  0.561634D+00 -0.768683D+00 -0.242985D+01  0.177170D+01
      2   0.934701D+01  0.936615D+00  0.292347D+00 -0.158479D+01  0.531299D+01
      3  -0.264393D+00  0.947108D+00  0.167657D+02 -0.157348D+00 -0.109513D+01
                26            27            28            29            30 
      1   0.141121D+01  0.385276D+00  0.213312D+01  0.396307D+00  0.164356D+01
      2  -0.188781D+01  0.170476D+01 -0.200520D+01  0.151977D+00  0.236462D+01
      3  -0.145626D+01 -0.131866D+01 -0.973961D+00 -0.208578D+01 -0.636100D-01
                31            32            33            34            35 
      1   0.280668D+01  0.160618D+01 -0.169828D+01 -0.142382D+00  0.169151D+01
      2   0.169750D+01 -0.686570D-01 -0.245758D+01 -0.347032D+01 -0.100386D+01
      3   0.627805D+01  0.120021D+01 -0.490234D+00  0.258728D+00 -0.122515D+01
                36            37            38            39            40 
      1  -0.588972D+00 -0.233541D+01  0.168371D+01 -0.168561D+01  0.879626D+00
      2   0.287405D+01  0.274502D+00 -0.276817D+00  0.280683D+01 -0.140152D+01
      3   0.108029D+01  0.147701D+01 -0.133154D+01  0.356806D+00  0.679159D+01
                41            42            43            44            45 
      1  -0.365946D+00 -0.149743D+01  0.102887D+00  0.221063D+01  0.106784D+01
      2  -0.302207D+00  0.204937D+01 -0.365782D+01 -0.821260D+00  0.303648D+01
      3   0.185085D+01  0.372697D+00  0.107297D+00 -0.591578D+00 -0.487813D+00
                46            47            48            49            50 
      1   0.135400D+01 -0.469807D+01 -0.890378D+00 -0.318194D+01 -0.123418D+01
      2   0.280784D+01  0.211331D+01 -0.904462D+01  0.254147D+01  0.910391D+00
      3  -0.577425D+01  0.859066D+01 -0.118964D+01  0.138104D+01 -0.366806D+01
                51            52            53            54            55 
      1   0.624468D+01  0.250490D+01  0.134218D+02  0.100415D+01 -0.133307D+01
      2   0.168933D+01 -0.137035D+02 -0.279731D+01 -0.536736D+01  0.134538D+01
      3   0.123911D+01 -0.114662D+01  0.583375D+01 -0.801438D+00  0.952836D+01
                56            57            58            59            60 
      1   0.218073D+01  0.186403D+00  0.895078D+00 -0.383467D+00 -0.357033D+01
      2  -0.728451D+00  0.143671D+02 -0.991521D+00  0.844765D+00 -0.153192D+01
      3  -0.214570D+02  0.113032D+01 -0.185060D+01  0.894815D+01 -0.950032D+00
                61            62            63            64            65 
      1  -0.280965D+01  0.139281D+01 -0.103452D+01 -0.782519D+00 -0.698890D-01
      2   0.545519D+01  0.131234D+01  0.495629D+01  0.713922D+00  0.473046D+00
      3   0.782475D+00 -0.475225D+01  0.310227D+01  0.129310D+02 -0.117603D+02
                66            67            68            69            70 
      1  -0.252168D+01 -0.698822D+00 -0.257688D+01 -0.402148D+01 -0.126674D+01
      2   0.394658D+01 -0.880674D+00  0.268849D+00  0.189507D+01 -0.142135D+01
      3   0.441113D+00 -0.467433D+01  0.569714D+01 -0.284972D+00  0.258064D+01
                71            72            73            74            75 
      1   0.324209D+01 -0.176099D+01 -0.147864D+01 -0.758113D+00 -0.226141D+00
      2   0.130415D+01  0.970828D+00  0.297036D+00 -0.467993D+00  0.196529D+01
      3  -0.137266D+01 -0.326569D+00  0.136534D+02  0.849641D+01  0.130939D+01
                76            77            78            79            80 
      1  -0.582411D+00  0.183392D+01 -0.629054D+01 -0.346354D-01  0.109065D+01
      2   0.716700D+00  0.144315D-01 -0.213111D+01 -0.300425D+01  0.423544D-02
      3   0.988360D+01  0.892036D+01 -0.583858D-01  0.249046D+01  0.207723D+01
                81            82            83            84            85 
      1   0.448131D+00  0.274747D+00  0.984990D+00 -0.760940D+00 -0.406584D+00
      2  -0.165400D+00  0.367232D+00 -0.405189D+00  0.378895D+01 -0.484663D+00
      3   0.121665D+01  0.241276D+02 -0.667296D+01 -0.426313D-02  0.600166D+01
                86            87            88            89            90 
      1  -0.102851D+01 -0.791280D+01 -0.178850D+01 -0.245323D+01 -0.259331D+00
      2  -0.225749D+00  0.317405D+00 -0.104614D+01  0.405607D+01  0.468048D+00
      3  -0.861650D+01  0.184665D-01  0.128331D+01 -0.158023D+01 -0.341889D+01
                91            92            93            94            95 
      1   0.934584D-02  0.238946D+00  0.735250D+00  0.571261D+00 -0.751167D+00
      2  -0.193558D+01  0.643895D-01 -0.192524D+00 -0.314875D-01 -0.809560D+00
      3  -0.104236D+01 -0.437979D+00 -0.505982D+00  0.940858D+00 -0.454310D+00
                96            97            98            99           100 
      1   0.127729D-01  0.233732D+00  0.308207D+01  0.258906D+01 -0.208686D+00
      2   0.874725D-01 -0.346630D+01  0.453720D+00 -0.450098D+01 -0.200951D+01
      3   0.649004D+00 -0.101724D+01  0.145923D+01 -0.965009D+00  0.642921D+00
               101           102           103           104           105 
      1   0.312696D+00 -0.700035D+00  0.216053D+00 -0.146453D+00  0.492616D-01
      2  -0.194456D+00 -0.242830D+00  0.222085D+00 -0.563912D+00 -0.808129D-01
      3  -0.971495D+00  0.522134D+00  0.699115D+00 -0.308746D+00  0.685382D+00
               106           107           108           109           110 
      1  -0.420677D+00  0.292613D+01 -0.312491D+01 -0.704446D+00 -0.149651D+00
      2  -0.403967D+01  0.889249D-01 -0.468217D+01 -0.817855D+00  0.175518D+00
      3   0.640050D+00  0.758481D+00  0.351799D+00 -0.297409D+02  0.866091D+01
               111           112           113           114           115 
      1   0.112559D+01 -0.567686D-01  0.507069D-01 -0.550750D+00  0.188859D+00
      2  -0.313320D+01  0.145712D+00 -0.265141D+00  0.379278D+00 -0.307508D+01
      3   0.313353D+00  0.413578D+01 -0.216425D+01  0.213992D+00 -0.125239D+01
               116           117           118           119           120 
      1   0.465254D+00  0.164726D+00  0.345294D+00 -0.171998D+00 -0.915280D+00
      2   0.511963D+00  0.705790D-01  0.664835D-01 -0.151483D+00  0.107547D+01
      3   0.422111D+00 -0.216504D+00 -0.492152D+01 -0.148625D+01 -0.100429D+00
               121           122           123           124           125 
      1  -0.510807D-01  0.771597D+00  0.110636D+00  0.173347D+00  0.133702D+01
      2   0.246887D-01  0.125326D+00  0.288566D+01  0.465534D+00  0.168198D+01
      3  -0.197483D+01 -0.218246D+02 -0.119436D+00 -0.703138D-01  0.440276D+00
               126           127           128           129           130 
      1   0.667123D-01 -0.990657D-01 -0.732326D-01  0.982565D+00 -0.172304D+00
      2   0.507068D-01 -0.511910D+00  0.131505D+00 -0.641638D+00  0.385532D+00
      3  -0.101559D+01 -0.104025D+02  0.623750D+01  0.678856D-01  0.969546D+01
               131           132           133           134           135 
      1   0.245797D+00 -0.265346D+01 -0.214138D+00 -0.979198D+00  0.128565D+00
      2  -0.342051D+00  0.808755D+00 -0.148719D+01  0.844945D+00  0.197044D+00
      3  -0.127299D+02  0.182513D+00 -0.148410D+01  0.764239D+00 -0.663913D+00
               136           137           138           139           140 
      1   0.205013D+01  0.268122D+00  0.285020D+01  0.537094D+00  0.584562D+00
      2   0.278104D+00 -0.993534D-01  0.225984D+01 -0.227455D+00 -0.498082D-02
      3  -0.152408D+02 -0.114443D+02 -0.169142D+01 -0.395983D+01 -0.431882D+01
               141           142           143           144 
      1  -0.810250D-01  0.132242D+01  0.738029D+00  0.110674D+01
      2  -0.948240D+00 -0.919414D-01 -0.183467D+01  0.871526D+00
      3  -0.546758D+00 -0.365413D+01 -0.209987D+01  0.855830D-03
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.252940D+02  0.321742D+01 -0.522764D+00  0.113593D+01  0.244824D+02
      2   0.149420D+02 -0.574375D+01  0.140985D+01  0.854182D+00 -0.311895D+02
      3   0.103520D+02  0.252633D+01 -0.887091D+00 -0.199011D+01  0.670711D+01
      4  -0.442782D+01  0.681601D+00  0.121886D+00 -0.390083D+01  0.963827D+01
      5  -0.978402D+00 -0.636186D+00 -0.845154D+01 -0.391051D+00  0.432899D-01
      6  -0.375585D+00  0.482666D+00 -0.358087D+01  0.938306D+00 -0.138994D+01
                 6             7             8             9            10 
      1  -0.888376D+00 -0.551894D+01 -0.236917D+01 -0.388962D+01 -0.264613D+01
      2  -0.162809D+00  0.372571D+01  0.260078D+01 -0.677810D+01  0.578183D+01
      3   0.105119D+01  0.179323D+01 -0.231614D+00  0.106677D+02 -0.313570D+01
      4  -0.605103D+00  0.244513D+01 -0.192926D+01  0.256388D+00 -0.223746D+01
      5  -0.192002D+01  0.396596D+01  0.157393D+01 -0.324115D+01  0.445371D+00
      6  -0.957888D+01 -0.795873D+00  0.255406D+01  0.186663D+01 -0.257150D+00
                11            12            13            14            15 
      1  -0.880187D+01  0.237725D+00 -0.143979D+02 -0.362543D+02 -0.166517D-01
      2   0.827807D+01 -0.295148D+00  0.856678D+01  0.533513D+02 -0.312754D-01
      3   0.523799D+00  0.574226D-01  0.583108D+01 -0.170970D+02  0.479271D-01
      4   0.153125D+02 -0.565543D+00  0.148590D+02 -0.264803D+02  0.613450D+00
      5  -0.895995D-01  0.546055D+01  0.183724D+00 -0.122327D+00 -0.343960D+01
      6   0.300883D-01  0.166521D+01 -0.103966D+01  0.130399D+01  0.159783D+02
                16            17            18            19            20 
      1   0.857758D+00  0.146522D+01 -0.100663D+02  0.683630D+02 -0.164141D+01
      2  -0.109552D+01 -0.129225D+01  0.742543D+01 -0.411274D+02  0.112911D+01
      3   0.237761D+00 -0.172965D+00  0.264084D+01 -0.272356D+02  0.512296D+00
      4  -0.640065D+00  0.335078D+00 -0.711077D+01 -0.364415D+01  0.947846D+01
      5   0.292273D+01 -0.839541D+01  0.119439D+01  0.111814D+01  0.760546D+00
      6   0.977187D+00  0.140169D+02 -0.151107D+01  0.717452D+00 -0.231546D+00
                21            22            23            24            25 
      1   0.144100D+01 -0.114371D+02  0.235654D+01  0.131866D+00  0.462235D+01
      2  -0.811359D+00  0.592565D+01  0.481978D+00  0.159542D+00 -0.349973D+01
      3  -0.629638D+00  0.551148D+01 -0.283852D+01 -0.291408D+00 -0.112262D+01
      4   0.531815D+00  0.110434D+02 -0.182994D+02  0.888358D+00 -0.659219D-01
      5   0.175057D+02  0.587468D-01  0.717958D+00 -0.138827D+01  0.194171D+02
      6   0.251884D+00  0.408945D+00 -0.261012D+00  0.442158D+01 -0.201627D+01
                26            27            28            29            30 
      1   0.701054D+00  0.104792D+02 -0.122551D+00  0.350013D+01  0.254372D+01
      2   0.162947D+00 -0.107008D+02  0.870462D+00 -0.958908D+01  0.244452D+01
      3  -0.864001D+00  0.221508D+00 -0.747911D+00  0.608895D+01 -0.498824D+01
      4   0.884669D+00 -0.185402D+01 -0.585391D+01 -0.477292D+01 -0.124667D+01
      5   0.388963D+00  0.322503D+01 -0.218115D+01  0.253672D-01 -0.456734D+00
      6   0.341021D+01 -0.583326D+00  0.133993D+01 -0.184480D+01 -0.633767D+00
                31            32            33            34            35 
      1  -0.301987D+01 -0.121020D+01  0.109511D+01  0.137620D+01 -0.282171D+01
      2  -0.270469D+01 -0.270702D+01 -0.476815D+00  0.186412D+01 -0.421848D+01
      3   0.572456D+01  0.391722D+01 -0.618297D+00 -0.324032D+01  0.704019D+01
      4  -0.984933D+01 -0.125049D+02  0.693462D+00 -0.617804D+01  0.324773D+00
      5  -0.495276D-01 -0.522457D+00 -0.290541D+01  0.178123D+01  0.983217D+00
      6   0.308226D+00 -0.515935D-01 -0.257938D+01  0.305265D+01 -0.100757D+00
                36            37            38            39            40 
      1   0.108161D+02  0.275519D+01 -0.451982D+01  0.395215D+01  0.437573D+01
      2   0.831309D+01 -0.177689D+01  0.779408D+01  0.158945D+01 -0.300246D-01
      3  -0.191292D+02 -0.978296D+00 -0.327426D+01 -0.554159D+01 -0.434571D+01
      4   0.187600D+01  0.339969D+01 -0.417407D+01 -0.157292D-01 -0.841330D+01
      5   0.289165D+01  0.307713D+00 -0.637052D+00  0.153883D+00  0.519167D+00
      6   0.883970D+01 -0.161281D+01 -0.196487D+00  0.222714D+01  0.182644D+01
                41            42            43            44            45 
      1   0.165024D+00 -0.133742D+01  0.604412D+01  0.153127D+01  0.115350D+02
      2  -0.617545D+01 -0.166609D+01  0.792483D+00  0.151469D+01  0.902976D+01
      3   0.601043D+01  0.300352D+01 -0.683660D+01 -0.304596D+01 -0.205647D+02
      4   0.595661D+01  0.950635D+00  0.281005D+01 -0.930243D+00 -0.354286D+01
      5  -0.220641D+00  0.267678D+01  0.134858D+01 -0.184465D+01  0.268840D+01
      6  -0.631386D+00 -0.207235D+01 -0.322886D+01  0.195157D+01 -0.814417D+01
                46            47            48            49            50 
      1  -0.505392D+02  0.233051D+01 -0.274038D+01  0.177321D+02  0.175958D+02
      2   0.322359D+02  0.225823D+01  0.559407D+01 -0.121940D+02 -0.206001D+02
      3   0.183033D+02 -0.458874D+01 -0.285369D+01 -0.553808D+01  0.300429D+01
      4   0.553785D+01 -0.130829D+02 -0.610203D-01  0.416641D+01  0.195704D+01
      5  -0.599406D+01  0.890634D+00 -0.134356D+02  0.253204D+01  0.178188D+01
      6  -0.428750D+00 -0.452905D+00  0.310010D+01  0.210539D+01  0.191487D+01
                51            52            53            54            55 
      1   0.743947D+00 -0.117670D+02  0.130660D+01 -0.815588D+01  0.100927D+03
      2  -0.313471D+00  0.866375D+01  0.690722D+00 -0.286947D+01 -0.606880D+02
      3  -0.430475D+00  0.310320D+01 -0.199732D+01  0.110254D+02 -0.402390D+02
      4   0.198777D+01  0.475388D+00 -0.328775D+01  0.129298D+01 -0.189680D+01
      5   0.493722D+01  0.149586D+01  0.463428D+00 -0.696330D+01  0.827030D+01
      6  -0.886394D+01 -0.685136D+00  0.242995D+01 -0.516089D+00  0.180434D+00
                56            57            58            59            60 
      1  -0.757402D+01  0.574407D+01 -0.101820D+02  0.703067D+01 -0.609777D+00
      2   0.571516D+01 -0.566515D+01  0.770406D+01 -0.270573D+00  0.710689D+00
      3   0.185887D+01 -0.789114D-01  0.247797D+01 -0.676010D+01 -0.100912D+00
      4   0.252747D+02 -0.445326D+00  0.176102D+02 -0.554810D+01  0.201869D+01
      5  -0.125137D+01  0.244963D+02 -0.104817D+01  0.173614D+01 -0.383654D+01
      6   0.524223D+00 -0.433518D+00  0.906818D+00  0.295706D+00  0.569975D+01
                61            62            63            64            65 
      1   0.972661D+01 -0.111614D+01  0.156819D+02  0.135817D+02 -0.116601D+02
      2  -0.843678D+01  0.257282D+00 -0.147676D+02 -0.557629D+01  0.209221D+02
      3  -0.128983D+01  0.858857D+00 -0.914301D+00 -0.800546D+01 -0.926194D+01
      4  -0.100128D+01  0.437234D+01 -0.280774D+00  0.156984D+02  0.183599D+02
      5   0.258493D+02 -0.189018D+01  0.109296D+02  0.125216D+01  0.781546D-01
      6   0.256976D+01  0.395601D+01  0.108263D+01  0.130419D+01 -0.350365D+00
                66            67            68            69            70 
      1   0.368213D+00 -0.713804D+01  0.418955D+01 -0.304787D+01  0.251290D+01
      2  -0.196285D+01  0.127708D+02  0.225231D+01  0.594530D+00 -0.917858D+00
      3   0.159463D+01 -0.563274D+01 -0.644186D+01  0.245334D+01 -0.159504D+01
      4   0.138722D+01  0.173291D+02  0.185049D+02  0.861617D+00  0.505130D+01
      5   0.718956D+01 -0.225564D-01  0.107930D+01  0.335110D+01  0.615444D+01
      6   0.335152D+01 -0.981225D+00  0.272925D+01  0.695359D+01  0.382835D+01
                71            72            73            74            75 
      1  -0.209233D+01 -0.324059D+01 -0.534787D+01 -0.270475D+01 -0.224372D+01
      2   0.571049D+01 -0.140274D+01  0.562990D+01  0.819045D+00 -0.937360D+00
      3  -0.361816D+01  0.464333D+01 -0.282034D+00  0.188571D+01  0.318108D+01
      4   0.407061D+01  0.474668D+01  0.374228D+01  0.907059D+00  0.188074D+01
      5   0.345634D+01  0.142026D+01 -0.157423D+01  0.703029D+00  0.439247D+01
      6   0.710046D+01  0.225827D+01  0.181304D+01 -0.665214D+00  0.267459D+00
                76            77            78            79            80 
      1  -0.222857D+01 -0.196418D+02  0.192220D+01 -0.976546D+00 -0.135060D+01
      2  -0.241126D+01  0.330379D+02  0.131795D+01  0.108555D+01 -0.721097D+00
      3   0.463983D+01 -0.133961D+02 -0.324015D+01 -0.109009D+00  0.207170D+01
      4   0.156289D+02 -0.244084D+02 -0.102541D+01  0.149931D+01 -0.394795D+00
      5   0.614894D-01 -0.789222D+00 -0.439690D+01  0.362454D+01 -0.300685D+01
      6  -0.190464D+01  0.708096D+00  0.100596D+02 -0.151977D+01  0.807294D+01
                81            82            83            84            85 
      1  -0.582842D+01  0.117079D+02  0.413173D+01  0.485109D+00 -0.300957D+01
      2   0.169744D+01 -0.375738D+01 -0.216057D+01 -0.666816D+00  0.293809D+01
      3   0.413098D+01 -0.795047D+01 -0.197116D+01  0.181707D+00  0.714836D-01
      4  -0.329149D+01  0.204916D+02  0.211080D+02 -0.789171D+00  0.846035D+01
      5  -0.316067D+00  0.316187D+00 -0.767335D+00  0.702680D+01 -0.139033D+01
      6   0.649140D+00  0.427900D+00 -0.261105D+00  0.185137D+00 -0.181216D+01
                86            87            88            89            90 
      1  -0.264501D+02  0.439435D+00  0.239034D+00 -0.630839D+00 -0.817294D+01
      2   0.400094D+02 -0.388772D+00 -0.126214D+01  0.143636D+00  0.498593D+01
      3  -0.135593D+02 -0.506630D-01  0.102310D+01  0.487203D+00  0.318701D+01
      4   0.197477D+02 -0.143843D+01 -0.281628D+00  0.251999D+00  0.643540D+01
      5  -0.209133D+01  0.156695D+01  0.408454D+01  0.688100D+01 -0.263265D+00
      6  -0.245335D+01  0.142084D+02 -0.518512D-01  0.128984D+02 -0.718057D+00
                91            92            93            94            95 
      1  -0.194421D+01 -0.152353D-01 -0.327948D+01 -0.360562D+00 -0.336268D+01
      2  -0.288375D+01  0.450053D+00 -0.114456D+01  0.666704D-01  0.290387D+00
      3   0.482796D+01 -0.434817D+00  0.442404D+01  0.293891D+00  0.307229D+01
      4  -0.665938D+00  0.187852D+01 -0.147551D+01  0.260356D+01  0.115856D+01
      5   0.263038D+00 -0.646795D+00  0.493997D+01 -0.183241D+00 -0.626735D+00
      6  -0.191605D+01  0.773860D+00 -0.184562D+01  0.296024D+00 -0.201579D+01
                96            97            98            99           100 
      1   0.185350D+01 -0.382035D+01  0.338747D+01 -0.199324D+02 -0.244289D+01
      2  -0.140833D+01 -0.105486D+01 -0.102055D+01 -0.152683D+02 -0.276029D+01
      3  -0.445173D+00  0.487520D+01 -0.236691D+01  0.352008D+02  0.520318D+01
      4  -0.135732D+01 -0.949205D+00 -0.277619D+01 -0.102530D+00  0.110885D+01
      5   0.417951D+00  0.368139D+01  0.327399D+00 -0.585070D+01  0.303253D+00
      6   0.655496D+01 -0.921499D+00  0.527553D+01 -0.104809D+02  0.165421D+01
               101           102           103           104           105 
      1   0.540851D+00 -0.353755D+01  0.702321D+00 -0.296615D+01 -0.117352D+01
      2  -0.449498D+00 -0.110651D+01 -0.905650D-01 -0.255516D+00  0.206764D+01
      3  -0.913529D-01  0.464407D+01 -0.611756D+00  0.322167D+01 -0.894115D+00
      4   0.238082D+01  0.135686D+01  0.239259D+01 -0.181251D+00 -0.134730D+01
      5   0.318802D+00  0.527885D+01 -0.172556D+00 -0.502178D+00 -0.151465D+00
      6   0.642650D+00  0.149085D+01  0.718538D+00  0.131504D+01  0.633323D+01
               106           107           108           109           110 
      1  -0.559748D+01 -0.205293D+01 -0.216460D+02 -0.131752D+02  0.383957D+01
      2  -0.116164D+01  0.227527D+01 -0.157927D+02  0.674856D+01 -0.480594D+01
      3   0.675913D+01 -0.222346D+00  0.374387D+02  0.642666D+01  0.966361D+00
      4   0.145650D+01 -0.239145D+01  0.994455D+00 -0.170195D+02 -0.136614D+02
      5   0.382551D+01 -0.449574D-01 -0.569736D+01 -0.583081D+00  0.436170D+00
      6   0.126148D+01  0.475165D+01  0.932599D+01 -0.584675D+00  0.324380D+00
               111           112           113           114           115 
      1  -0.489390D+00  0.159363D+01 -0.599526D+01  0.373025D+00  0.177336D+00
      2   0.447641D-02 -0.144833D+01  0.819466D+01 -0.338698D+00 -0.497155D-01
      3   0.484914D+00 -0.145299D+00 -0.219940D+01 -0.343276D-01 -0.127621D+00
      4   0.410537D+00  0.556232D+00  0.160259D+01  0.976104D-01 -0.395019D+00
      5  -0.567417D+01  0.569518D-01 -0.264096D+00  0.615962D+00  0.312923D+00
      6  -0.141718D+01  0.284737D+00 -0.475608D+00  0.165576D+01 -0.139915D+00
               116           117           118           119           120 
      1   0.771867D+00 -0.235853D+01  0.108508D+02  0.732849D+01  0.104602D+00
      2  -0.680196D+00  0.731377D+00 -0.478403D+01 -0.343205D+01  0.472125D-01
      3  -0.916705D-01  0.162716D+01 -0.606675D+01 -0.389644D+01 -0.151815D+00
      4   0.279033D+00  0.443008D+00  0.837072D+01  0.611671D+01  0.327380D-02
      5   0.726913D+00  0.212530D+00 -0.135363D+00  0.156823D-01  0.259180D+01
      6   0.266411D+01 -0.481321D+00  0.647798D-02  0.328292D-01  0.137052D+01
               121           122           123           124           125 
      1   0.224532D+02  0.501262D+01  0.581841D+00 -0.864880D+00  0.385714D-01
      2  -0.132056D+02 -0.170627D+01 -0.565453D+00  0.421746D+00 -0.236113D+00
      3  -0.924753D+01 -0.330635D+01 -0.163881D-01  0.443134D+00  0.197542D+00
      4   0.775605D+01  0.229999D+02 -0.853428D-01 -0.107719D+00 -0.197865D+00
      5   0.550011D+00 -0.234559D+00  0.459225D+01  0.468149D+01  0.272068D+01
      6   0.777553D-01  0.431576D+00 -0.236421D+00  0.802170D+00  0.160005D+01
               126           127           128           129           130 
      1   0.188536D+01 -0.443349D+01  0.980231D+01 -0.699704D+00  0.741261D+01
      2  -0.204048D+01  0.455154D+01 -0.132292D+02  0.231538D+00 -0.681849D+01
      3   0.155121D+00 -0.118051D+00  0.342688D+01  0.468166D+00 -0.594113D+00
      4   0.279638D+01 -0.394382D+01 -0.135277D+01 -0.154358D+00  0.387114D+01
      5   0.245849D+00 -0.973659D-01  0.120601D+00 -0.981629D+00  0.530960D-01
      6   0.600272D-01 -0.524074D+00  0.107237D+01 -0.120006D+01  0.107950D+00
               131           132           133           134           135 
      1  -0.222102D+02  0.762998D+00 -0.400563D+00  0.206216D+01 -0.346214D+01
      2   0.331800D+02 -0.102221D+01  0.515773D+00 -0.238374D+01  0.334672D+01
      3  -0.109698D+02  0.259212D+00 -0.115210D+00  0.321586D+00  0.115413D+00
      4   0.819939D+01 -0.343292D+00 -0.599579D+00 -0.741037D+00  0.851285D+00
      5  -0.698177D+00  0.175144D+01  0.101025D+01  0.948856D+00  0.384348D+00
      6  -0.194432D+01  0.450827D+01 -0.186449D+00  0.571191D+01 -0.620424D+00
               136           137           138           139           140 
      1   0.160048D+02  0.306125D+01  0.198772D+01 -0.404937D+01  0.450754D+01
      2  -0.652858D+01 -0.837327D+01 -0.407016D+00  0.911833D+00 -0.239253D+01
      3  -0.947623D+01  0.531202D+01 -0.158070D+01  0.313754D+01 -0.211501D+01
      4  -0.180337D+02  0.146717D+02 -0.190263D+01  0.457019D+01 -0.171622D+01
      5   0.178097D+01 -0.284288D+00  0.336897D+01 -0.757799D+00  0.713152D+00
      6  -0.174454D+01  0.119353D+00 -0.479880D+01  0.272043D+00 -0.439163D+00
               141           142           143           144 
      1  -0.187881D+00  0.171376D+01  0.181194D+01  0.751836D+00
      2   0.238719D+00 -0.126655D+01 -0.216096D+01 -0.151306D+01
      3  -0.508380D-01 -0.447209D+00  0.349016D+00  0.761225D+00
      4   0.604093D+00 -0.351923D+01  0.213008D+01 -0.351013D+01
      5  -0.187145D+01  0.452790D+01 -0.266243D+01  0.165329D+01
      6   0.362642D+00 -0.231974D+01  0.283270D+01 -0.199068D+01
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Fri Jul 16 13:26:58 2021, MaxMem=  5637144576 cpu:            7335.0 elap:             927.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.23278 -19.20229 -19.19882 -19.18756 -19.17624
 Alpha  occ. eigenvalues --  -19.15810 -10.37676 -10.34952 -10.30727 -10.29442
 Alpha  occ. eigenvalues --   -1.15556  -1.12325  -1.08585  -1.06755  -1.05455
 Alpha  occ. eigenvalues --   -1.02733  -0.80625  -0.71643  -0.67035  -0.63567
 Alpha  occ. eigenvalues --   -0.61768  -0.59171  -0.56568  -0.53100  -0.51179
 Alpha  occ. eigenvalues --   -0.50820  -0.48156  -0.47390  -0.45537  -0.44649
 Alpha  occ. eigenvalues --   -0.43452  -0.42529  -0.38195  -0.37922  -0.35911
 Alpha  occ. eigenvalues --   -0.34739  -0.33490  -0.31965  -0.31381
 Alpha virt. eigenvalues --   -0.05842  -0.03107  -0.00913   0.01400   0.02162
 Alpha virt. eigenvalues --    0.02491   0.05266   0.06863   0.07094   0.08056
 Alpha virt. eigenvalues --    0.08196   0.08834   0.10056   0.10784   0.11802
 Alpha virt. eigenvalues --    0.12232   0.13189   0.13502   0.14027   0.14572
 Alpha virt. eigenvalues --    0.14971   0.16226   0.16778   0.17958   0.19207
 Alpha virt. eigenvalues --    0.20029   0.20116   0.20807   0.20829   0.22089
 Alpha virt. eigenvalues --    0.23211   0.23912   0.24679   0.25638   0.25971
 Alpha virt. eigenvalues --    0.26407   0.27833   0.28372   0.28634   0.29585
 Alpha virt. eigenvalues --    0.30389   0.30719   0.31142   0.31636   0.33092
 Alpha virt. eigenvalues --    0.33429   0.33643   0.34121   0.34687   0.35534
 Alpha virt. eigenvalues --    0.35644   0.37176   0.37251   0.38959   0.40858
 Alpha virt. eigenvalues --    0.41705   0.42445   0.43035   0.44207   0.45006
 Alpha virt. eigenvalues --    0.45329   0.45793   0.46355   0.46894   0.47998
 Alpha virt. eigenvalues --    0.48447   0.49124   0.49785   0.51164   0.51824
 Alpha virt. eigenvalues --    0.52294   0.53016   0.53086   0.53981   0.55035
 Alpha virt. eigenvalues --    0.56416   0.56579   0.57467   0.57916   0.58833
 Alpha virt. eigenvalues --    0.60394   0.61411   0.61896   0.63081   0.63457
 Alpha virt. eigenvalues --    0.64129   0.64418   0.65392   0.65724   0.67424
 Alpha virt. eigenvalues --    0.67660   0.68740   0.68943   0.69378   0.71100
 Alpha virt. eigenvalues --    0.71248   0.71979   0.72638   0.74887   0.75316
 Alpha virt. eigenvalues --    0.75792   0.76465   0.79394   0.79707   0.81382
 Alpha virt. eigenvalues --    0.82374   0.83506   0.83846   0.86063   0.88103
 Alpha virt. eigenvalues --    0.90597   0.92572   0.93909   0.95775   0.96691
 Alpha virt. eigenvalues --    0.98442   0.99290   1.01116   1.03140   1.04112
 Alpha virt. eigenvalues --    1.05397   1.09077   1.09957   1.11477   1.12558
 Alpha virt. eigenvalues --    1.14329   1.17963   1.19268   1.20712   1.21966
 Alpha virt. eigenvalues --    1.25551   1.27417   1.28862   1.34001   1.37274
 Alpha virt. eigenvalues --    1.42822   1.45024   1.47854   1.49349   1.50094
 Alpha virt. eigenvalues --    1.52495   1.55240   1.56330   1.58616   1.58958
 Alpha virt. eigenvalues --    1.62738   1.65552   1.66911   1.68745   1.69927
 Alpha virt. eigenvalues --    1.73129   1.74291   1.75650   1.76738   1.80098
 Alpha virt. eigenvalues --    1.81354   1.82778   1.83304   1.86539   1.87530
 Alpha virt. eigenvalues --    1.88652   1.89162   1.91345   1.93542   1.96362
 Alpha virt. eigenvalues --    1.98492   1.98904   1.99425   2.01285   2.03249
 Alpha virt. eigenvalues --    2.04100   2.05375   2.06833   2.09407   2.09926
 Alpha virt. eigenvalues --    2.12957   2.15847   2.18783   2.20530   2.21207
 Alpha virt. eigenvalues --    2.24089   2.27283   2.28112   2.33232   2.34828
 Alpha virt. eigenvalues --    2.37179   2.39032   2.41572   2.43580   2.46731
 Alpha virt. eigenvalues --    2.52322   2.55462   2.58057   2.64613   2.73626
 Alpha virt. eigenvalues --    2.83212   2.85322   2.90185   2.90500   2.92127
 Alpha virt. eigenvalues --    2.94851   2.95804   2.98538   2.99830   3.02165
 Alpha virt. eigenvalues --    3.04355   3.05660   3.06228   3.07411   3.12395
 Alpha virt. eigenvalues --    3.14049   3.18522   3.21661   3.23327   3.24644
 Alpha virt. eigenvalues --    3.42876   3.44596   3.48416   3.54627   3.56833
 Alpha virt. eigenvalues --    3.61551   3.78199   3.80001   3.91858   3.93173
 Alpha virt. eigenvalues --    3.95730   4.03608
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    6.258085  -0.344016  -0.216893  -0.619419  -0.078147  -0.030041
     2  O   -0.344016   8.664633   0.131614   0.240688  -0.008533   0.019824
     3  O   -0.216893   0.131614   8.165372   0.082595   0.004964  -0.006243
     4  C   -0.619419   0.240688   0.082595   5.640521   0.344032  -0.141470
     5  C   -0.078147  -0.008533   0.004964   0.344032   5.506948  -0.606874
     6  C   -0.030041   0.019824  -0.006243  -0.141470  -0.606874   6.200015
     7  O    0.005541  -0.006358   0.000473   0.017303   0.157168  -0.079965
     8  O   -0.015949   0.010669  -0.049068  -0.043202  -0.172053   0.050196
     9  O    0.004821   0.004681  -0.001333  -0.197815   0.077505   0.044516
    10  O    0.015353  -0.072801  -0.003876  -0.006749   0.050426  -0.091705
    11  H    0.067530  -0.031213   0.006004   0.284753   0.134149  -0.073975
    12  H    0.011939  -0.011590  -0.006178   0.159268   0.378922  -0.103855
    13  H    0.082912  -0.096793  -0.022175  -0.031014  -0.029154   0.088759
    14  H    0.179366  -0.049392   0.165746  -0.046931   0.013013   0.000505
    15  H    0.001127   0.000360   0.001919   0.071170   0.013686  -0.003124
    16  H   -0.003897   0.001482  -0.000069   0.031650   0.082064  -0.087590
               7          8          9         10         11         12
     1  C    0.005541  -0.015949   0.004821   0.015353   0.067530   0.011939
     2  O   -0.006358   0.010669   0.004681  -0.072801  -0.031213  -0.011590
     3  O    0.000473  -0.049068  -0.001333  -0.003876   0.006004  -0.006178
     4  C    0.017303  -0.043202  -0.197815  -0.006749   0.284753   0.159268
     5  C    0.157168  -0.172053   0.077505   0.050426   0.134149   0.378922
     6  C   -0.079965   0.050196   0.044516  -0.091705  -0.073975  -0.103855
     7  O    8.454623  -0.009109  -0.088729   0.038376   0.010720   0.029734
     8  O   -0.009109   8.314450   0.076428  -0.003369  -0.099690  -0.064741
     9  O   -0.088729   0.076428   8.382898  -0.004429  -0.057036  -0.191357
    10  O    0.038376  -0.003369  -0.004429   8.151072   0.010778  -0.004426
    11  H    0.010720  -0.099690  -0.057036   0.010778   0.820798   0.039060
    12  H    0.029734  -0.064741  -0.191357  -0.004426   0.039060   0.853076
    13  H   -0.009201  -0.003659  -0.008074   0.258300   0.008394   0.011282
    14  H   -0.000151   0.027241  -0.002389   0.000463   0.005784   0.002750
    15  H    0.001239   0.218651  -0.014202  -0.000328  -0.002784   0.014162
    16  H    0.059288  -0.007575   0.203666  -0.003662   0.004251   0.034711
              13         14         15         16
     1  C    0.082912   0.179366   0.001127  -0.003897
     2  O   -0.096793  -0.049392   0.000360   0.001482
     3  O   -0.022175   0.165746   0.001919  -0.000069
     4  C   -0.031014  -0.046931   0.071170   0.031650
     5  C   -0.029154   0.013013   0.013686   0.082064
     6  C    0.088759   0.000505  -0.003124  -0.087590
     7  O   -0.009201  -0.000151   0.001239   0.059288
     8  O   -0.003659   0.027241   0.218651  -0.007575
     9  O   -0.008074  -0.002389  -0.014202   0.203666
    10  O    0.258300   0.000463  -0.000328  -0.003662
    11  H    0.008394   0.005784  -0.002784   0.004251
    12  H    0.011282   0.002750   0.014162   0.034711
    13  H    0.605658   0.002844  -0.000067   0.001058
    14  H    0.002844   0.570022   0.004536   0.000199
    15  H   -0.000067   0.004536   0.598526   0.005387
    16  H    0.001058   0.000199   0.005387   0.526187
 Mulliken charges:
               1
     1  C    0.681689
     2  O   -0.453255
     3  O   -0.252854
     4  C    0.214620
     5  C    0.131882
     6  C    0.821028
     7  O   -0.580952
     8  O   -0.229221
     9  O   -0.229152
    10  O   -0.333423
    11  H   -0.127524
    12  H   -0.152755
    13  H    0.140930
    14  H    0.126396
    15  H    0.089741
    16  H    0.152850
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    0.681689
     2  O   -0.453255
     3  O   -0.126458
     4  C    0.087095
     5  C   -0.020873
     6  C    0.821028
     7  O   -0.580952
     8  O   -0.139479
     9  O   -0.076302
    10  O   -0.192492
 Electronic spatial extent (au):  <R**2>=           1456.8182
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=              2.5835    Y=              2.9316    Z=             -0.2306  Tot=              3.9143
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -68.5799   YY=            -62.4549   ZZ=            -55.3746
   XY=              1.6516   XZ=             -2.1767   YZ=             -1.1776
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -6.4435   YY=             -0.3184   ZZ=              6.7619
   XY=              1.6516   XZ=             -2.1767   YZ=             -1.1776
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=             31.7605  YYY=             16.7864  ZZZ=             -0.2223  XYY=              1.9456
  XXY=             23.1509  XXZ=              1.5333  XZZ=              0.6892  YZZ=             -0.1987
  YYZ=             -2.3434  XYZ=              1.5574
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -1175.4181 YYYY=           -558.7864 ZZZZ=            -75.9755 XXXY=              6.9539
 XXXZ=             -9.2129 YYYX=             10.7389 YYYZ=             -6.0511 ZZZX=             -0.8243
 ZZZY=             -0.6201 XXYY=           -288.1838 XXZZ=           -194.0606 YYZZ=           -110.6943
 XXYZ=             -2.8712 YYXZ=              2.2246 ZZXY=             -0.3832
 N-N= 5.799848941777D+02 E-N=-2.583387988540D+03  KE= 6.017714702886D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Fri Jul 16 13:26:59 2021, MaxMem=  5637144576 cpu:               5.4 elap:               0.9
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        = 1.01689278D+00 1.18412649D+00-9.38804386D-02
 Polarizability= 8.17975500D+01 4.85168438D-01 7.24905273D+01
                 2.31743696D+00-9.28608424D-01 4.74490445D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 2     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 3      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 4      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 5     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 6     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -1.2571   -1.2567        0.3134    0.3131
 2      1.2571    1.2567        0.4818    0.4818       -4.7795   -4.7790
 3     -0.3134   -0.3131       17.6391   17.6393       -0.4824   -0.4818
 4     -0.4818   -0.4818       -0.0000    0.0000       -0.3131   -0.3131
 5    -12.8597  -12.8603        0.3131    0.3131       -1.2552   -1.2567
 6      0.4824    0.4818        1.2552    1.2567       -0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        3.7702    3.7702        0.9394    0.9394
 2     -1.4455   -1.4455       -0.0000    0.0000        0.9394    0.9394
 3     -1.4455   -1.4455        3.7702    3.7702       -0.0000    0.0000
 4      3.7702    3.7702        1.4455    1.4455      -14.3370  -14.3370
 5     -0.9394   -0.9394       52.9179   52.9179       -1.4455   -1.4455
 6    -38.5809  -38.5809        0.9394    0.9394       -3.7702   -3.7702
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0218    0.0000        5.0637    5.0270       -1.2259   -1.2525
 2     -5.0233   -5.0270       -1.9317   -1.9273       19.0582   19.1159
 3      1.2381    1.2525      -70.6059  -70.5571        1.9327    1.9273
 4      1.9646    1.9273        0.0130    0.0000        1.2617    1.2525
 5     51.4361   51.4412       -1.2611   -1.2525        5.0371    5.0270
 6     -1.9200   -1.9273       -5.0578   -5.0270       -0.0124    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0353    0.0000      -18.2424  -18.3418        4.0091    3.9865
 2     18.2784   18.3418       -4.9431   -5.0256        7.5368    7.5169
 3     -4.0130   -3.9865       -5.7642   -5.7547        5.1179    5.0256
 4      4.9786    5.0256        0.0214    0.0000       -3.9878   -3.9865
 5     -1.7212   -1.7622        3.9814    3.9865      -18.3836  -18.3418
 6     -5.0039   -5.0256       18.2302   18.3418       -0.0250    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -1.8785   -1.8413       -2.4842   -2.3820       -9.3005   -9.2876
 2      0.5689    0.6078      -22.4037  -22.4502       -9.2630   -9.2876
 3      0.5551    0.6078       -2.4269   -2.3820      -14.0118  -14.0167
 4     19.9780   20.0682       -2.3301   -2.4491        0.1421    0.1539
 5     -4.7424   -4.7291       -3.3794   -3.3736        2.4766    2.4491
 6      3.2824    3.2197        4.6684    4.7291      -20.1516  -20.0682
 Full mass-weighted force constant matrix:
 Low frequencies ---   -8.7795   -6.4224   -4.2787    0.0006    0.0006    0.0011
 Low frequencies ---   52.7945   70.0663   99.8989
 Diagonal vibrational polarizability:
       47.2791011      32.1767939      43.1856938
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   19436.35
                      1                      2                      3
                      A                      A                      A
 Frequencies --     52.7868                70.0659                99.8988
 Red. masses --      8.9078                 9.1139                11.6971
 Frc consts  --      0.0146                 0.0264                 0.0688
 IR Inten    --      0.4862                 2.4131                 1.9607
 RamAct Fr= 1--      0.4488                 0.0662                 0.7906
  Dep-P Fr= 1--      0.7486                 0.3064                 0.7499
  Dep-U Fr= 1--      0.8562                 0.4690                 0.8571
 Alpha2 Fr= 1--      0.0000                 0.0007                 0.0000
 Beta2  Fr= 1--      0.0640                 0.0052                 0.1129
 AlphaG Fr= 1--     -0.0002                -0.0007                 0.0003
 Gamma2 Fr= 1--     -0.1686                 0.0223                 0.1447
 Delta2 Fr= 1--      0.0247                 0.0352                 0.0165
 Raman1 Fr= 1--       1.795                  0.265                  3.163
 ROA1   Fr= 1--     -15.394                  3.269                 14.416
 CID1   Fr= 1--      -8.575                 12.340                  4.559
 Raman2 Fr= 1--       0.769                  0.062                  1.355
 ROA2   Fr= 1--      -4.244                  0.254                  3.341
 CID2   Fr= 1--      -5.521                  4.090                  2.465
 Raman3 Fr= 1--       1.537                  0.124                  2.711
 ROA3   Fr= 1--     -15.394                  3.269                 14.416
 CID3   Fr= 1--     -10.015                 26.310                  5.319
 RC180  Fr= 1--       0.712                 -0.062                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.01  -0.00     0.01   0.01  -0.07    -0.03   0.00  -0.11
     2   8     0.02  -0.04  -0.30    -0.02   0.00  -0.22    -0.02  -0.02  -0.41
     3   8    -0.05   0.03   0.45     0.03  -0.06  -0.12    -0.06   0.01   0.22
     4   6     0.02  -0.02  -0.09     0.06   0.08   0.11    -0.02   0.02  -0.05
     5   6     0.03   0.01  -0.07    -0.05   0.07  -0.11     0.03   0.00   0.05
     6   6    -0.01   0.00   0.06    -0.02  -0.01   0.05     0.05  -0.00   0.03
     7   8    -0.07  -0.00   0.37    -0.05  -0.08   0.10     0.14  -0.00  -0.38
     8   8     0.01   0.01  -0.16     0.06  -0.02   0.44    -0.01   0.02  -0.10
     9   8     0.03  -0.00  -0.14    -0.05   0.00  -0.42    -0.01   0.01   0.19
    10   8     0.03   0.01  -0.15     0.01  -0.00   0.22    -0.04  -0.02   0.51
    11   1     0.02  -0.09  -0.09     0.20   0.31   0.09    -0.10   0.02  -0.04
    12   1     0.06   0.08  -0.07    -0.18   0.27  -0.08     0.10  -0.06   0.04
    13   1     0.04   0.00  -0.32     0.02   0.03   0.06    -0.04  -0.05   0.30
    14   1    -0.08   0.03   0.54     0.06  -0.06   0.03    -0.08   0.01   0.34
    15   1    -0.02  -0.00  -0.11     0.22   0.07   0.23    -0.06   0.00   0.03
    16   1    -0.03   0.02   0.12    -0.08  -0.03  -0.26     0.08  -0.04  -0.16
                      4                      5                      6
                      A                      A                      A
 Frequencies --    247.2102               249.5725               328.4968
 Red. masses --      8.0659                 6.4189                 5.5313
 Frc consts  --      0.2904                 0.2356                 0.3517
 IR Inten    --     30.6089                10.9704                17.5436
 RamAct Fr= 1--      0.0234                 1.2025                 0.2453
  Dep-P Fr= 1--      0.6506                 0.7201                 0.5753
  Dep-U Fr= 1--      0.7883                 0.8373                 0.7304
 Alpha2 Fr= 1--      0.0000                 0.0006                 0.0008
 Beta2  Fr= 1--      0.0031                 0.1678                 0.0299
 AlphaG Fr= 1--     -0.0007                 0.0039                -0.0031
 Gamma2 Fr= 1--      0.0146                -0.1994                -0.0539
 Delta2 Fr= 1--      0.0249                -0.0925                 0.0131
 Raman1 Fr= 1--       0.094                  4.810                  0.981
 ROA1   Fr= 1--       2.193                -22.104                 -4.755
 CID1   Fr= 1--      23.439                 -4.596                 -4.847
 Raman2 Fr= 1--       0.037                  2.014                  0.358
 ROA2   Fr= 1--       0.150                 -4.046                 -1.398
 CID2   Fr= 1--       4.076                 -2.009                 -3.902
 Raman3 Fr= 1--       0.074                  4.027                  0.717
 ROA3   Fr= 1--       2.193                -22.104                 -4.755
 CID3   Fr= 1--      29.732                 -5.489                 -6.635
 RC180  Fr= 1--       0.577                  0.675                  0.461
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.17   0.00   0.01     0.00  -0.13   0.06     0.05   0.04   0.10
     2   8    -0.26   0.03   0.02     0.22  -0.21  -0.09    -0.04   0.06  -0.11
     3   8    -0.14  -0.22   0.01    -0.04   0.09  -0.06     0.12  -0.10  -0.04
     4   6    -0.04   0.13   0.03    -0.14  -0.16   0.19     0.04   0.02   0.26
     5   6    -0.02   0.17   0.07    -0.13   0.11   0.19     0.01  -0.01   0.24
     6   6     0.16  -0.03   0.03    -0.01   0.11   0.08     0.02  -0.04   0.10
     7   8     0.12  -0.18  -0.01    -0.02  -0.00  -0.07     0.09   0.11  -0.04
     8   8     0.18   0.04  -0.07    -0.09  -0.13  -0.04    -0.02   0.17  -0.12
     9   8    -0.20   0.07   0.03    -0.01   0.12  -0.07    -0.07  -0.14  -0.13
    10   8     0.33   0.04  -0.08     0.18   0.16  -0.05    -0.15  -0.08  -0.09
    11   1    -0.10   0.13   0.04    -0.23  -0.29   0.19    -0.12  -0.19   0.27
    12   1    -0.00   0.24   0.07    -0.23   0.27   0.20    -0.15   0.19   0.27
    13   1     0.37   0.13  -0.08     0.18   0.17  -0.01    -0.16  -0.14  -0.04
    14   1     0.05  -0.24  -0.02    -0.23   0.11  -0.01     0.24  -0.12  -0.03
    15   1     0.33   0.15  -0.13    -0.05  -0.12  -0.20    -0.08   0.09  -0.38
    16   1    -0.15  -0.12  -0.03     0.02   0.15  -0.21    -0.04  -0.31  -0.15
                      7                      8                      9
                      A                      A                      A
 Frequencies --    347.2066               367.6159               393.3612
 Red. masses --      6.0937                 4.2151                 5.0978
 Frc consts  --      0.4328                 0.3356                 0.4647
 IR Inten    --      7.8430                 6.3529                24.0388
 RamAct Fr= 1--      3.6430                 1.7776                 1.0240
  Dep-P Fr= 1--      0.1412                 0.4574                 0.3618
  Dep-U Fr= 1--      0.2475                 0.6277                 0.5313
 Alpha2 Fr= 1--      0.0576                 0.0106                 0.0086
 Beta2  Fr= 1--      0.1503                 0.1860                 0.0907
 AlphaG Fr= 1--      0.0301                -0.0103                -0.0172
 Gamma2 Fr= 1--      0.1395                 0.1332                 0.2723
 Delta2 Fr= 1--      0.0805                 0.1079                 0.0541
 Raman1 Fr= 1--      14.572                  7.110                  4.096
 ROA1   Fr= 1--      15.968                 16.240                 27.869
 CID1   Fr= 1--       1.096                  2.284                  6.804
 Raman2 Fr= 1--       1.803                  2.232                  1.088
 ROA2   Fr= 1--       2.703                  2.333                  6.102
 CID2   Fr= 1--       1.499                  1.045                  5.607
 Raman3 Fr= 1--       3.606                  4.463                  2.176
 ROA3   Fr= 1--      15.968                 16.240                 27.869
 CID3   Fr= 1--       4.428                  3.639                 12.806
 RC180  Fr= 1--      -0.505                  0.255                  0.063
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.14  -0.00   0.02    -0.08   0.01  -0.04    -0.04   0.07   0.05
     2   8     0.15  -0.00  -0.02     0.00  -0.02   0.02    -0.09   0.08  -0.04
     3   8     0.17  -0.03   0.03    -0.16   0.24  -0.00    -0.04   0.07  -0.02
     4   6     0.07   0.03   0.01    -0.04  -0.01  -0.01    -0.01   0.02   0.14
     5   6    -0.11   0.07  -0.04     0.05   0.00   0.06    -0.04  -0.03   0.09
     6   6    -0.16   0.03  -0.05     0.06  -0.03   0.05    -0.10  -0.08  -0.03
     7   8    -0.21  -0.09  -0.02     0.12   0.10  -0.00    -0.14  -0.23  -0.04
     8   8     0.27  -0.05  -0.06     0.20  -0.14   0.03     0.11   0.02  -0.05
     9   8    -0.27   0.04   0.13    -0.05  -0.08  -0.05     0.31   0.12  -0.02
    10   8    -0.10   0.04   0.02    -0.09  -0.08  -0.04    -0.03  -0.09  -0.01
    11   1     0.12   0.02   0.00    -0.11   0.11   0.02    -0.09  -0.04   0.15
    12   1    -0.12  -0.01  -0.04     0.07   0.07   0.06    -0.20  -0.06   0.12
    13   1    -0.11   0.06   0.03    -0.11  -0.17   0.01    -0.02  -0.02  -0.03
    14   1     0.20  -0.04  -0.00    -0.40   0.27  -0.04    -0.07   0.08  -0.04
    15   1     0.57   0.13  -0.40     0.55   0.07  -0.34     0.29   0.10  -0.43
    16   1    -0.21  -0.09  -0.03    -0.06  -0.21   0.05     0.22   0.50   0.16
                     10                     11                     12
                      A                      A                      A
 Frequencies --    447.1017               500.8361               517.3522
 Red. masses --      1.2702                 6.0153                 1.4087
 Frc consts  --      0.1496                 0.8890                 0.2221
 IR Inten    --    158.8246                13.2636                51.6253
 RamAct Fr= 1--      1.0937                 5.0829                 0.9443
  Dep-P Fr= 1--      0.7497                 0.5619                 0.2957
  Dep-U Fr= 1--      0.8569                 0.7195                 0.4565
 Alpha2 Fr= 1--      0.0000                 0.0181                 0.0098
 Beta2  Fr= 1--      0.1562                 0.6095                 0.0718
 AlphaG Fr= 1--      0.0002                 0.0297                 0.0340
 Gamma2 Fr= 1--      0.0176                -0.3999                 0.4709
 Delta2 Fr= 1--      0.4336                -0.5458                 0.1016
 Raman1 Fr= 1--       4.375                 20.332                  3.777
 ROA1   Fr= 1--      15.568                -55.858                 48.461
 CID1   Fr= 1--       3.559                 -2.747                 12.830
 Raman2 Fr= 1--       1.874                  7.314                  0.862
 ROA2   Fr= 1--      -3.046                 -5.232                 10.489
 CID2   Fr= 1--      -1.625                 -0.715                 12.167
 Raman3 Fr= 1--       3.749                 14.628                  1.724
 ROA3   Fr= 1--      15.568                -55.858                 48.461
 CID3   Fr= 1--       4.153                 -3.818                 28.107
 RC180  Fr= 1--       0.714                  0.439                 -0.087
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.01   0.01     0.07   0.14  -0.11    -0.01   0.00   0.03
     2   8     0.01   0.00   0.00    -0.14   0.23  -0.00    -0.00  -0.01  -0.01
     3   8    -0.01   0.02  -0.02     0.10   0.02   0.05    -0.01   0.00  -0.01
     4   6    -0.00   0.01   0.03    -0.04  -0.10  -0.06    -0.00  -0.00   0.04
     5   6    -0.01   0.01   0.03    -0.01  -0.13   0.13    -0.01  -0.04  -0.01
     6   6    -0.01  -0.01   0.00    -0.11   0.06   0.12    -0.00   0.02  -0.07
     7   8    -0.01  -0.01  -0.01    -0.10   0.03  -0.06    -0.02   0.03  -0.02
     8   8     0.09  -0.01  -0.07     0.01  -0.22   0.01     0.02   0.01  -0.02
     9   8    -0.01   0.01  -0.03     0.04  -0.21  -0.03    -0.00  -0.08  -0.04
    10   8    -0.02  -0.02  -0.00     0.13   0.18  -0.01     0.05   0.06   0.04
    11   1    -0.05  -0.01   0.04    -0.23  -0.03  -0.02     0.00  -0.03   0.04
    12   1    -0.07   0.03   0.04     0.08  -0.04   0.11    -0.06  -0.15   0.01
    13   1    -0.02  -0.02  -0.01     0.17   0.38   0.02     0.06   0.09  -0.01
    14   1    -0.03   0.03   0.10     0.16   0.02  -0.00    -0.01   0.00   0.00
    15   1    -0.20  -0.10   0.95     0.10  -0.14   0.10     0.03   0.02  -0.01
    16   1    -0.01   0.02  -0.01     0.15  -0.27  -0.47    -0.24   0.03   0.93
                     13                     14                     15
                      A                      A                      A
 Frequencies --    559.5717               595.9212               661.8145
 Red. masses --      2.9476                 7.0575                 3.6673
 Frc consts  --      0.5438                 1.4767                 0.9464
 IR Inten    --     24.9640                 3.6175                32.4642
 RamAct Fr= 1--      1.2220                 1.2861                 0.7441
  Dep-P Fr= 1--      0.0897                 0.2474                 0.6132
  Dep-U Fr= 1--      0.1647                 0.3966                 0.7602
 Alpha2 Fr= 1--      0.0219                 0.0154                 0.0019
 Beta2  Fr= 1--      0.0335                 0.0850                 0.0943
 AlphaG Fr= 1--     -0.0370                -0.0092                 0.0033
 Gamma2 Fr= 1--     -0.1648                 0.1776                -0.4901
 Delta2 Fr= 1--      0.1043                 0.3404                -0.4199
 Raman1 Fr= 1--       4.888                  5.144                  2.976
 ROA1   Fr= 1--     -12.484                 27.939                -60.484
 CID1   Fr= 1--      -2.554                  5.431                -20.322
 Raman2 Fr= 1--       0.402                  1.020                  1.131
 ROA2   Fr= 1--      -4.790                  1.539                 -8.402
 CID2   Fr= 1--     -11.901                  1.509                 -7.427
 Raman3 Fr= 1--       0.805                  2.040                  2.263
 ROA3   Fr= 1--     -12.484                 27.939                -60.484
 CID3   Fr= 1--     -15.509                 13.694                -26.732
 RC180  Fr= 1--      -0.671                 -0.207                  0.520
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03   0.03  -0.15    -0.06  -0.11  -0.21    -0.05   0.08  -0.12
     2   8     0.07   0.04   0.05     0.13  -0.18   0.09     0.15   0.03   0.04
     3   8     0.06  -0.07   0.07    -0.15  -0.03   0.05    -0.04  -0.10   0.06
     4   6    -0.09   0.03  -0.11     0.06   0.15  -0.08    -0.15   0.09   0.05
     5   6    -0.01   0.08   0.11     0.11  -0.05   0.13    -0.15  -0.08   0.01
     6   6     0.00  -0.02   0.14    -0.13   0.05   0.14    -0.01  -0.07  -0.16
     7   8     0.05  -0.05  -0.07    -0.14  -0.08  -0.08     0.01   0.16   0.07
     8   8    -0.05  -0.07   0.03     0.08   0.29   0.04     0.04  -0.00  -0.02
     9   8    -0.00   0.10  -0.06     0.09  -0.20  -0.03     0.04  -0.01  -0.01
    10   8    -0.06  -0.07  -0.05    -0.01   0.13  -0.04     0.08  -0.09   0.06
    11   1    -0.27   0.18  -0.07    -0.11   0.46  -0.01    -0.37   0.23   0.10
    12   1     0.14   0.25   0.08     0.26   0.02   0.11    -0.42  -0.23   0.06
    13   1    -0.09  -0.12   0.07    -0.02   0.13   0.15     0.12   0.02  -0.08
    14   1     0.20  -0.10  -0.06    -0.12  -0.04  -0.19     0.25  -0.15  -0.30
    15   1     0.04  -0.00   0.07    -0.03   0.21   0.00     0.15   0.09   0.01
    16   1    -0.19   0.20   0.70     0.14  -0.23  -0.20     0.10   0.12  -0.32
                     16                     17                     18
                      A                      A                      A
 Frequencies --    718.3197               755.9042               760.8162
 Red. masses --      1.1295                 5.8363                 7.7754
 Frc consts  --      0.3434                 1.9648                 2.6517
 IR Inten    --     62.2162                 3.6560                11.2721
 RamAct Fr= 1--      0.5812                 0.4568                 6.8170
  Dep-P Fr= 1--      0.7029                 0.1042                 0.0792
  Dep-U Fr= 1--      0.8255                 0.1888                 0.1467
 Alpha2 Fr= 1--      0.0005                 0.0079                 0.1256
 Beta2  Fr= 1--      0.0800                 0.0144                 0.1667
 AlphaG Fr= 1--      0.0112                -0.0185                 0.0070
 Gamma2 Fr= 1--      0.0275                -0.0068                 0.2964
 Delta2 Fr= 1--      0.1154                 0.0013                -0.1039
 Raman1 Fr= 1--       2.325                  1.827                 27.268
 ROA1   Fr= 1--       6.329                 -0.613                 25.130
 CID1   Fr= 1--       2.723                 -0.336                  0.922
 Raman2 Fr= 1--       0.960                  0.172                  2.000
 ROA2   Fr= 1--      -0.263                 -0.174                  7.945
 CID2   Fr= 1--      -0.274                 -1.011                  3.973
 Raman3 Fr= 1--       1.919                  0.345                  4.000
 ROA3   Fr= 1--       6.329                 -0.613                 25.130
 CID3   Fr= 1--       3.298                 -1.779                  6.282
 RC180  Fr= 1--       0.651                 -0.622                 -0.707
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.01  -0.02    -0.10   0.11   0.29    -0.19   0.23   0.23
     2   8     0.02   0.00   0.03     0.11   0.02  -0.08     0.26   0.11  -0.06
     3   8     0.00  -0.03  -0.06    -0.09  -0.06  -0.05    -0.15  -0.15  -0.06
     4   6    -0.02   0.02  -0.02     0.01   0.02  -0.11    -0.11   0.07  -0.03
     5   6    -0.01  -0.01   0.00    -0.03  -0.04  -0.12     0.13   0.04  -0.01
     6   6    -0.02  -0.01   0.01    -0.20  -0.13   0.31     0.16   0.17  -0.08
     7   8    -0.00   0.02  -0.00    -0.05   0.16  -0.10     0.04  -0.21   0.04
     8   8     0.00   0.01  -0.01     0.04   0.00   0.02    -0.04  -0.13  -0.01
     9   8     0.01  -0.01  -0.00     0.02   0.01   0.02     0.05  -0.12   0.01
    10   8     0.02  -0.01   0.00     0.13  -0.12  -0.05    -0.19   0.17  -0.01
    11   1    -0.02   0.04  -0.01     0.40  -0.15  -0.19    -0.05  -0.11  -0.05
    12   1    -0.01  -0.01   0.00     0.36   0.12  -0.19     0.19  -0.07  -0.01
    13   1     0.02   0.01  -0.02     0.19   0.16   0.03    -0.26  -0.20   0.05
    14   1    -0.11   0.01   0.98     0.17  -0.10  -0.24     0.39  -0.22   0.11
    15   1     0.07   0.05  -0.09     0.08   0.04   0.05     0.16   0.02   0.05
    16   1     0.01   0.02  -0.02    -0.02   0.12   0.12     0.10  -0.21  -0.13
                     19                     20                     21
                      A                      A                      A
 Frequencies --    893.6971               908.5299               928.3448
 Red. masses --      1.2828                 3.2748                 3.6757
 Frc consts  --      0.6037                 1.5926                 1.8664
 IR Inten    --     80.1307                16.8164                 6.4515
 RamAct Fr= 1--      0.6886                 0.7296                 2.6633
  Dep-P Fr= 1--      0.4783                 0.1189                 0.0490
  Dep-U Fr= 1--      0.6471                 0.2125                 0.0933
 Alpha2 Fr= 1--      0.0037                 0.0122                 0.0527
 Beta2  Fr= 1--      0.0743                 0.0258                 0.0414
 AlphaG Fr= 1--     -0.0194                -0.0022                 0.0516
 Gamma2 Fr= 1--      0.4800                 0.3564                -0.0462
 Delta2 Fr= 1--      0.2921                 0.2062                -0.0289
 Raman1 Fr= 1--       2.755                  2.918                 10.653
 ROA1   Fr= 1--      55.424                 40.816                 -5.358
 CID1   Fr= 1--      20.121                 13.986                 -0.503
 Raman2 Fr= 1--       0.891                  0.310                  0.497
 ROA2   Fr= 1--       9.183                  6.905                 -0.877
 CID2   Fr= 1--      10.304                 22.267                 -1.764
 Raman3 Fr= 1--       1.783                  0.620                  0.994
 ROA3   Fr= 1--      55.424                 40.816                 -5.358
 CID3   Fr= 1--      31.093                 65.815                 -5.388
 RC180  Fr= 1--       0.294                 -0.575                 -0.813
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.01  -0.00    -0.03   0.07  -0.15    -0.00   0.04  -0.16
     2   8    -0.01  -0.00  -0.02     0.06   0.09   0.01     0.05   0.07   0.04
     3   8     0.02   0.00   0.01    -0.15  -0.03   0.01    -0.10  -0.02   0.01
     4   6    -0.03   0.00   0.01     0.19  -0.10   0.11     0.11  -0.12   0.13
     5   6    -0.07  -0.05  -0.06     0.15   0.06   0.05    -0.15  -0.13  -0.15
     6   6     0.03   0.01   0.04    -0.05  -0.04  -0.10     0.04   0.04   0.20
     7   8     0.04  -0.01   0.01    -0.08   0.04   0.01     0.10  -0.05  -0.03
     8   8     0.02   0.02  -0.01    -0.02  -0.04  -0.00     0.05   0.03  -0.01
     9   8     0.01  -0.01   0.01    -0.05   0.06  -0.00    -0.02   0.02   0.02
    10   8    -0.00   0.03  -0.05     0.04  -0.07  -0.01    -0.06   0.08  -0.01
    11   1    -0.00   0.02   0.01     0.20  -0.25   0.09     0.27  -0.15   0.10
    12   1    -0.12  -0.09  -0.05     0.11   0.18   0.06    -0.30  -0.19  -0.12
    13   1    -0.09  -0.03   0.96     0.02   0.06   0.62    -0.04  -0.06  -0.60
    14   1    -0.01   0.01   0.02     0.09  -0.06   0.09     0.08  -0.05   0.04
    15   1     0.04   0.04   0.02    -0.31  -0.27  -0.13    -0.21  -0.17  -0.11
    16   1    -0.01   0.12  -0.01    -0.03  -0.21   0.09    -0.07   0.26   0.06
                     22                     23                     24
                      A                      A                      A
 Frequencies --   1062.5189              1093.0372              1093.4830
 Red. masses --      6.6168                 6.8472                 4.6663
 Frc consts  --      4.4012                 4.8198                 3.2874
 IR Inten    --     30.5415                64.8208               107.4381
 RamAct Fr= 1--      2.7490                 1.8046                 3.1349
  Dep-P Fr= 1--      0.2608                 0.6871                 0.7088
  Dep-U Fr= 1--      0.4138                 0.8146                 0.8296
 Alpha2 Fr= 1--      0.0316                 0.0020                 0.0022
 Beta2  Fr= 1--      0.1896                 0.2450                 0.4334
 AlphaG Fr= 1--     -0.0302                -0.0026                -0.0272
 Gamma2 Fr= 1--     -0.1799                -0.0034                 0.2205
 Delta2 Fr= 1--     -0.0350                -0.5194                 0.9830
 Raman1 Fr= 1--      10.996                  7.219                 12.539
 ROA1   Fr= 1--     -18.385                -16.945                 52.625
 CID1   Fr= 1--      -1.672                 -2.347                  4.197
 Raman2 Fr= 1--       2.275                  2.940                  5.201
 ROA2   Fr= 1--      -4.037                  4.074                 -2.572
 CID2   Fr= 1--      -1.775                  1.386                 -0.495
 Raman3 Fr= 1--       4.550                  5.880                 10.403
 ROA3   Fr= 1--     -18.385                -16.945                 52.625
 CID3   Fr= 1--      -4.041                 -2.882                  5.059
 RC180  Fr= 1--      -0.172                  0.629                  0.659
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.04  -0.10    -0.01   0.01  -0.10    -0.02  -0.01   0.02
     2   8    -0.02  -0.06   0.03    -0.00   0.04   0.01    -0.00  -0.04   0.00
     3   8     0.06   0.02   0.03     0.03  -0.00   0.02    -0.03   0.02  -0.01
     4   6    -0.02   0.33   0.35    -0.16  -0.21   0.06     0.32   0.24  -0.10
     5   6     0.19   0.08  -0.29    -0.15   0.47  -0.15    -0.24   0.12   0.13
     6   6    -0.06  -0.03   0.14     0.01   0.03  -0.02     0.03   0.03  -0.01
     7   8    -0.03   0.00  -0.04    -0.02   0.01  -0.00     0.02   0.01   0.01
     8   8    -0.15  -0.19  -0.12     0.04   0.09   0.04    -0.08  -0.14  -0.04
     9   8     0.03  -0.04   0.04     0.13  -0.28   0.10     0.04  -0.13   0.02
    10   8     0.01  -0.01  -0.02     0.01  -0.09  -0.00     0.00  -0.03   0.00
    11   1    -0.16   0.29   0.35     0.20  -0.36  -0.02     0.45   0.14  -0.15
    12   1     0.08  -0.00  -0.25     0.17   0.50  -0.19    -0.41   0.06   0.18
    13   1     0.03   0.07  -0.06     0.01  -0.08  -0.03    -0.01  -0.04   0.03
    14   1    -0.03   0.03  -0.01     0.05  -0.01  -0.01     0.02   0.01   0.00
    15   1     0.29   0.16   0.12    -0.01   0.04   0.05    -0.15  -0.20  -0.08
    16   1     0.06  -0.27   0.06     0.07   0.10   0.06    -0.03   0.40  -0.04
                     25                     26                     27
                      A                      A                      A
 Frequencies --   1209.3791              1242.2233              1258.9457
 Red. masses --      1.4098                 1.4549                 1.3303
 Frc consts  --      1.2149                 1.3228                 1.2423
 IR Inten    --     87.2214                 7.4658                 8.2811
 RamAct Fr= 1--      7.6798                 2.8891                 4.2339
  Dep-P Fr= 1--      0.4884                 0.2462                 0.2445
  Dep-U Fr= 1--      0.6563                 0.3951                 0.3929
 Alpha2 Fr= 1--      0.0400                 0.0346                 0.0510
 Beta2  Fr= 1--      0.8400                 0.1902                 0.2773
 AlphaG Fr= 1--      0.0619                -0.0020                -0.0515
 Gamma2 Fr= 1--      0.0716                -0.8146                 1.2733
 Delta2 Fr= 1--      0.4907                -0.6333                 1.1433
 Raman1 Fr= 1--      30.719                 11.557                 16.936
 ROA1   Fr= 1--      22.578                -98.467                158.822
 CID1   Fr= 1--       0.735                 -8.520                  9.378
 Raman2 Fr= 1--      10.080                  2.283                  3.327
 ROA2   Fr= 1--      -2.207                -14.483                 21.412
 CID2   Fr= 1--      -0.219                 -6.344                  6.435
 Raman3 Fr= 1--      20.160                  4.566                  6.654
 ROA3   Fr= 1--      22.578                -98.467                158.822
 CID3   Fr= 1--       1.120                -21.566                 23.867
 RC180  Fr= 1--       0.313                 -0.210                 -0.214
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.13  -0.03  -0.02    -0.08   0.02  -0.06     0.10  -0.02   0.05
     2   8     0.02   0.05   0.00    -0.01  -0.04   0.01     0.01   0.04  -0.01
     3   8    -0.07  -0.05   0.00     0.05   0.03   0.01    -0.04  -0.04  -0.01
     4   6     0.01   0.01  -0.00    -0.04   0.04   0.05     0.00  -0.01   0.02
     5   6    -0.01  -0.00   0.03    -0.04  -0.08   0.05    -0.01  -0.04  -0.02
     6   6     0.00   0.00  -0.00    -0.00  -0.04  -0.06    -0.01  -0.03  -0.04
     7   8     0.00  -0.00   0.00     0.02   0.00   0.01     0.02  -0.00   0.01
     8   8    -0.06   0.01  -0.01    -0.00  -0.00  -0.01     0.01  -0.01  -0.01
     9   8     0.00   0.01  -0.00    -0.01   0.00  -0.01    -0.01  -0.03   0.02
    10   8    -0.01  -0.00   0.00    -0.01   0.03   0.01    -0.01   0.02   0.00
    11   1     0.22  -0.38  -0.07     0.50  -0.26  -0.07    -0.20   0.46   0.10
    12   1    -0.02  -0.05   0.03     0.61   0.29  -0.07     0.28   0.55  -0.08
    13   1     0.00   0.05   0.00    -0.01   0.01  -0.01    -0.00   0.10   0.01
    14   1    -0.48   0.01  -0.10     0.23   0.00   0.02    -0.35   0.01  -0.04
    15   1     0.50   0.45   0.25     0.13   0.10   0.06    -0.15  -0.13  -0.07
    16   1     0.01  -0.03  -0.01    -0.04   0.30  -0.06    -0.05   0.37  -0.04
                     28                     29                     30
                      A                      A                      A
 Frequencies --   1298.5522              1306.9930              1363.2381
 Red. masses --      2.8441                 1.1794                 1.2036
 Frc consts  --      2.8257                 1.1870                 1.3179
 IR Inten    --    119.4982                56.8636                14.5788
 RamAct Fr= 1--      5.5300                 3.9431                 5.4730
  Dep-P Fr= 1--      0.3629                 0.3213                 0.7477
  Dep-U Fr= 1--      0.5326                 0.4863                 0.8556
 Alpha2 Fr= 1--      0.0465                 0.0379                 0.0002
 Beta2  Fr= 1--      0.4908                 0.3196                 0.7805
 AlphaG Fr= 1--     -0.0010                 0.0322                -0.0019
 Gamma2 Fr= 1--      0.6888                -1.9425                -0.2812
 Delta2 Fr= 1--     -0.3210                 0.5053                -2.2566
 Raman1 Fr= 1--      22.120                 15.773                 21.892
 ROA1   Fr= 1--      55.856               -170.309                -99.203
 CID1   Fr= 1--       2.525                -10.798                 -4.531
 Raman2 Fr= 1--       5.890                  3.835                  9.365
 ROA2   Fr= 1--      19.100                -50.662                 11.305
 CID2   Fr= 1--       3.243                -13.211                  1.207
 Raman3 Fr= 1--      11.780                  7.670                 18.731
 ROA3   Fr= 1--      55.856               -170.309                -99.203
 CID3   Fr= 1--       4.742                -22.205                 -5.296
 RC180  Fr= 1--       0.065                 -0.027                  0.711
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.02   0.00     0.02  -0.01   0.00    -0.04   0.00  -0.01
     2   8    -0.01   0.03  -0.00     0.01   0.02  -0.00     0.00   0.01   0.00
     3   8    -0.00  -0.00   0.00     0.00  -0.02   0.00     0.02  -0.00   0.00
     4   6     0.01  -0.01   0.03    -0.06  -0.01   0.03    -0.05  -0.03  -0.01
     5   6     0.02  -0.06   0.01    -0.04   0.05   0.04     0.04  -0.06  -0.00
     6   6     0.07   0.30   0.03     0.00  -0.01   0.00     0.02   0.05   0.01
     7   8    -0.10   0.01  -0.02     0.00  -0.00   0.00    -0.03   0.00  -0.01
     8   8    -0.00   0.00  -0.01     0.01  -0.01  -0.03    -0.01   0.00  -0.02
     9   8    -0.05  -0.03  -0.02     0.01   0.02  -0.02     0.01   0.01   0.02
    10   8     0.07  -0.16   0.00    -0.00   0.00  -0.00     0.02  -0.02   0.00
    11   1    -0.12   0.08   0.07     0.52   0.47  -0.03     0.48   0.31  -0.08
    12   1     0.36  -0.28  -0.06     0.28  -0.49  -0.01    -0.49   0.54   0.09
    13   1    -0.02  -0.54  -0.00     0.00   0.00   0.02    -0.02  -0.22  -0.01
    14   1    -0.06   0.00  -0.01    -0.25   0.01  -0.04    -0.05   0.01  -0.02
    15   1     0.05   0.04   0.02    -0.17  -0.15  -0.06     0.08   0.07   0.03
    16   1    -0.09   0.53  -0.13     0.03  -0.24   0.01     0.04  -0.21   0.07
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1378.7156              1409.1806              1435.4982
 Red. masses --      1.4234                 1.5321                 2.1873
 Frc consts  --      1.5941                 1.7925                 2.6556
 IR Inten    --    393.5274               119.0174               133.4021
 RamAct Fr= 1--      4.5863                 2.0677                 1.4857
  Dep-P Fr= 1--      0.3171                 0.5108                 0.3504
  Dep-U Fr= 1--      0.4815                 0.6762                 0.5189
 Alpha2 Fr= 1--      0.0447                 0.0097                 0.0130
 Beta2  Fr= 1--      0.3680                 0.2330                 0.1285
 AlphaG Fr= 1--      0.0285                 0.0369                -0.0083
 Gamma2 Fr= 1--     -1.1655                 1.3366                 0.6021
 Delta2 Fr= 1--      0.0466                 0.4907                 0.7317
 Raman1 Fr= 1--      18.345                  8.271                  5.943
 ROA1   Fr= 1--    -110.398                144.015                 81.221
 CID1   Fr= 1--      -6.018                 17.413                 13.667
 Raman2 Fr= 1--       4.416                  2.796                  1.542
 ROA2   Fr= 1--     -28.346                 28.152                  8.597
 CID2   Fr= 1--      -6.418                 10.068                  5.575
 Raman3 Fr= 1--       8.833                  5.592                  3.084
 ROA3   Fr= 1--    -110.398                144.015                 81.221
 CID3   Fr= 1--     -12.499                 25.752                 26.336
 RC180  Fr= 1--      -0.037                  0.352                  0.038
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.09  -0.01   0.02     0.08  -0.02  -0.00     0.19  -0.04   0.01
     2   8    -0.03  -0.03  -0.00    -0.01  -0.01   0.00    -0.03  -0.01   0.00
     3   8    -0.08   0.04  -0.01    -0.04   0.01  -0.00    -0.09   0.01  -0.01
     4   6     0.04  -0.08   0.01    -0.10   0.02  -0.00    -0.11   0.15  -0.00
     5   6    -0.05   0.01   0.00     0.14   0.03   0.02    -0.07  -0.05  -0.01
     6   6     0.01   0.01  -0.01    -0.03   0.01   0.01     0.04   0.06   0.00
     7   8     0.00  -0.00   0.00     0.03  -0.01   0.00    -0.03   0.00  -0.01
     8   8    -0.04   0.00  -0.03     0.01  -0.01   0.00     0.06  -0.01   0.02
     9   8     0.01   0.01   0.00    -0.04  -0.04  -0.01     0.03   0.02   0.01
    10   8    -0.00  -0.01   0.00    -0.02  -0.02  -0.00     0.01  -0.03   0.00
    11   1    -0.03   0.45   0.07     0.34  -0.00  -0.09     0.08  -0.46  -0.09
    12   1     0.15   0.01  -0.03    -0.36  -0.18   0.11     0.10   0.25  -0.05
    13   1     0.01   0.08   0.01     0.04   0.44   0.01     0.00  -0.14   0.01
    14   1     0.71  -0.06   0.10     0.27  -0.03   0.03     0.28  -0.04   0.05
    15   1     0.32   0.28   0.13    -0.08  -0.07  -0.05    -0.37  -0.35  -0.16
    16   1     0.03  -0.16   0.02    -0.09   0.60  -0.11     0.08  -0.45   0.09
                     34                     35                     36
                      A                      A                      A
 Frequencies --   1476.1282              1783.6291              1817.0414
 Red. masses --      1.4953                 8.8286                 8.3662
 Frc consts  --      1.9197                16.5482                16.2746
 IR Inten    --    181.8951               376.9580               266.8064
 RamAct Fr= 1--      1.1049                31.0245                 9.5593
  Dep-P Fr= 1--      0.2545                 0.0979                 0.6611
  Dep-U Fr= 1--      0.4057                 0.1784                 0.7960
 Alpha2 Fr= 1--      0.0129                 0.5459                 0.0152
 Beta2  Fr= 1--      0.0747                 0.9225                 1.2682
 AlphaG Fr= 1--      0.0002                -0.0019                 0.0570
 Gamma2 Fr= 1--     -0.4171                -0.5444                 1.0336
 Delta2 Fr= 1--     -0.0210                -0.2589                 0.3245
 Raman1 Fr= 1--       4.419                124.098                 38.237
 ROA1   Fr= 1--     -40.711                -60.552                109.609
 CID1   Fr= 1--      -9.212                 -0.488                  2.867
 Raman2 Fr= 1--       0.897                 11.070                 15.218
 ROA2   Fr= 1--      -9.842                -10.995                 22.210
 CID2   Fr= 1--     -10.977                 -0.993                  1.459
 Raman3 Fr= 1--       1.793                 22.140                 30.436
 ROA3   Fr= 1--     -40.711                -60.552                109.609
 CID3   Fr= 1--     -22.703                 -2.735                  3.601
 RC180  Fr= 1--      -0.189                 -0.643                  0.592
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.06   0.01  -0.00     0.15   0.50  -0.03    -0.14  -0.42   0.03
     2   8     0.01  -0.01   0.00    -0.08  -0.30   0.02     0.08   0.24  -0.02
     3   8     0.03  -0.00   0.00     0.00  -0.05   0.00     0.01   0.04  -0.00
     4   6     0.02  -0.00   0.00    -0.00  -0.05   0.00    -0.01   0.02  -0.01
     5   6    -0.05  -0.04  -0.01    -0.00   0.00  -0.01    -0.02  -0.00   0.00
     6   6     0.02   0.13  -0.01     0.42  -0.13   0.09     0.45  -0.21   0.09
     7   8     0.03  -0.03   0.01    -0.26   0.07  -0.06    -0.28   0.08  -0.06
     8   8     0.00   0.00  -0.00     0.00  -0.01   0.00    -0.00   0.01  -0.00
     9   8     0.01   0.01   0.00    -0.01   0.00   0.00     0.00   0.01  -0.00
    10   8    -0.03  -0.10  -0.00    -0.06   0.01  -0.01    -0.05   0.03  -0.00
    11   1    -0.04  -0.01   0.01     0.02   0.05   0.01     0.02  -0.02  -0.01
    12   1     0.08   0.14  -0.03    -0.04  -0.04   0.00     0.00  -0.04   0.02
    13   1     0.11   0.91   0.01     0.17   0.32   0.05    -0.01   0.51  -0.03
    14   1    -0.13   0.01  -0.02    -0.39   0.05  -0.05     0.31  -0.03   0.04
    15   1    -0.01  -0.00   0.00    -0.02  -0.02  -0.01     0.03   0.04   0.01
    16   1     0.04  -0.26   0.05    -0.07   0.22  -0.03    -0.04   0.15  -0.03
                     37                     38                     39
                      A                      A                      A
 Frequencies --   2997.8213              3014.5678              3175.9377
 Red. masses --      1.0807                 1.0839                 1.0747
 Frc consts  --      5.7223                 5.8035                 6.3868
 IR Inten    --     10.9764                16.6138              1049.7139
 RamAct Fr= 1--    171.6252                 7.4840                96.7920
  Dep-P Fr= 1--      0.1673                 0.2105                 0.2280
  Dep-U Fr= 1--      0.2866                 0.3478                 0.3714
 Alpha2 Fr= 1--      2.5384                 0.0988                 1.2189
 Beta2  Fr= 1--      8.1994                 0.4339                 5.9914
 AlphaG Fr= 1--      0.3182                 0.0420                -0.1007
 Gamma2 Fr= 1--      3.6946                -2.1434                -2.3855
 Delta2 Fr= 1--      4.2411                -4.6556                 0.8271
 Raman1 Fr= 1--     686.501                 29.936                387.168
 ROA1   Fr= 1--     490.398               -354.741               -202.540
 CID1   Fr= 1--       0.714                -11.850                 -0.523
 Raman2 Fr= 1--      98.392                  5.206                 71.897
 ROA2   Fr= 1--      54.742                -14.196                -63.868
 CID2   Fr= 1--       0.556                 -2.727                 -0.888
 Raman3 Fr= 1--     196.785                 10.413                143.794
 ROA3   Fr= 1--     490.398               -354.741               -202.540
 CID3   Fr= 1--       2.492                -34.068                 -1.409
 RC180  Fr= 1--      -0.427                 -0.304                 -0.257
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.01   0.00
     2   8    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.01  -0.00
     3   8     0.00   0.00   0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
     4   6     0.01  -0.01   0.04    -0.01   0.01  -0.07     0.00   0.00  -0.00
     5   6    -0.01  -0.00  -0.07    -0.01  -0.00  -0.04     0.00  -0.00   0.00
     6   6    -0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.01   0.01  -0.00
     7   8     0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
     8   8     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
     9   8    -0.00   0.00   0.00     0.00   0.00   0.00     0.00  -0.00   0.00
    10   8    -0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.06   0.01  -0.00
    11   1    -0.10   0.04  -0.53     0.15  -0.07   0.82    -0.00   0.00   0.00
    12   1     0.15   0.01   0.82     0.09   0.01   0.53    -0.00  -0.00  -0.00
    13   1     0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.98  -0.16   0.07
    14   1    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.01   0.02   0.00
    15   1     0.00   0.00  -0.00    -0.00  -0.01  -0.00     0.00   0.01  -0.00
    16   1    -0.01  -0.00  -0.01    -0.01  -0.00  -0.00    -0.02   0.01  -0.00
                     40                     41                     42
                      A                      A                      A
 Frequencies --   3596.8318              3608.6584              3753.5768
 Red. masses --      1.0646                 1.0645                 1.0657
 Frc consts  --      8.1146                 8.1676                 8.8468
 IR Inten    --    180.5898               183.5280                88.7759
 RamAct Fr= 1--     52.1145                44.7496                55.7153
  Dep-P Fr= 1--      0.0695                 0.1057                 0.1447
  Dep-U Fr= 1--      0.1300                 0.1912                 0.2528
 Alpha2 Fr= 1--      0.9825                 0.7727                 0.8730
 Beta2  Fr= 1--      1.1289                 1.4257                 2.3472
 AlphaG Fr= 1--     -0.1065                -0.0392                -0.1502
 Gamma2 Fr= 1--     -0.9475                 1.5731                -0.2806
 Delta2 Fr= 1--     -0.1342                 0.2009                -0.6480
 Raman1 Fr= 1--     208.458                178.998                222.861
 ROA1   Fr= 1--     -95.254                157.444                -47.673
 CID1   Fr= 1--      -0.457                  0.880                 -0.214
 Raman2 Fr= 1--      13.546                 17.109                 28.166
 ROA2   Fr= 1--     -21.667                 36.147                 -1.550
 CID2   Fr= 1--      -1.599                  2.113                 -0.055
 Raman3 Fr= 1--      27.093                 34.217                 56.332
 ROA3   Fr= 1--     -95.254                157.444                -47.673
 CID3   Fr= 1--      -3.516                  4.601                 -0.846
 RC180  Fr= 1--      -0.740                 -0.618                 -0.494
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
     2   8    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
     3   8     0.00   0.00  -0.00    -0.01  -0.06   0.00     0.00   0.00  -0.00
     4   6     0.00  -0.00  -0.00     0.00   0.00   0.00     0.00  -0.00   0.00
     5   6    -0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
     6   6     0.00  -0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
     7   8    -0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
     8   8    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.04  -0.05   0.01
     9   8    -0.06  -0.01  -0.01    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    10   8    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
    11   1    -0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    12   1     0.00  -0.01   0.01     0.00  -0.00   0.00     0.00  -0.00   0.00
    13   1     0.02   0.00   0.00    -0.02   0.00  -0.00    -0.00   0.00   0.00
    14   1    -0.01  -0.05   0.00     0.13   0.99  -0.02    -0.00  -0.05   0.00
    15   1     0.01  -0.02   0.00    -0.03   0.03  -0.00    -0.59   0.80  -0.10
    16   1     0.96   0.13   0.22     0.05   0.01   0.01     0.02   0.00   0.01

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  8 and mass  15.99491
 Atom     3 has atomic number  8 and mass  15.99491
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  8 and mass  15.99491
 Atom     8 has atomic number  8 and mass  15.99491
 Atom     9 has atomic number  8 and mass  15.99491
 Atom    10 has atomic number  8 and mass  15.99491
 Atom    11 has atomic number  1 and mass   1.00783
 Atom    12 has atomic number  1 and mass   1.00783
 Atom    13 has atomic number  1 and mass   1.00783
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Molecular mass:   150.01644 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   860.390701690.060542490.25697
           X            0.99999   0.00482  -0.00227
           Y           -0.00483   0.99998  -0.00298
           Z            0.00226   0.00299   0.99999
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.10067     0.05125     0.03478
 Rotational constants (GHZ):           2.09758     1.06786     0.72472
 Zero-point vibrational energy     303734.1 (Joules/Mol)
                                   72.59420 (Kcal/Mol)
 Warning -- explicit consideration of  14 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     75.95   100.81   143.73   355.68   359.08
          (Kelvin)            472.63   499.55   528.92   565.96   643.28
                              720.59   744.35   805.10   857.40   952.20
                             1033.50  1087.58  1094.64  1285.83  1307.17
                             1335.68  1528.73  1572.64  1573.28  1740.03
                             1787.28  1811.34  1868.33  1880.47  1961.40
                             1983.66  2027.50  2065.36  2123.82  2566.24
                             2614.32  4313.20  4337.29  4569.47  5175.04
                             5192.05  5400.56
 
 Zero-point correction=                           0.115686 (Hartree/Particle)
 Thermal correction to Energy=                    0.125067
 Thermal correction to Enthalpy=                  0.126011
 Thermal correction to Gibbs Free Energy=         0.080413
 Sum of electronic and zero-point Energies=           -607.574404
 Sum of electronic and thermal Energies=              -607.565024
 Sum of electronic and thermal Enthalpies=            -607.564080
 Sum of electronic and thermal Free Energies=         -607.609677
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                   78.480             34.486             95.968
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             40.927
 Rotational               0.889              2.981             29.672
 Vibrational             76.703             28.524             25.369
 Vibration     1          0.596              1.976              4.710
 Vibration     2          0.598              1.968              4.152
 Vibration     3          0.604              1.949              3.456
 Vibration     4          0.661              1.767              1.750
 Vibration     5          0.662              1.763              1.734
 Vibration     6          0.712              1.619              1.267
 Vibration     7          0.725              1.581              1.179
 Vibration     8          0.740              1.539              1.090
 Vibration     9          0.761              1.484              0.987
 Vibration    10          0.806              1.367              0.805
 Vibration    11          0.856              1.248              0.656
 Vibration    12          0.872              1.212              0.616
 Vibration    13          0.915              1.119              0.525
 Vibration    14          0.954              1.040              0.457
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.102917D-36        -36.987512        -85.166893
 Total V=0       0.167652D+17         16.224409         37.358082
 Vib (Bot)       0.209199D-50        -50.679440       -116.693724
 Vib (Bot)    1  0.391510D+01          0.592742          1.364840
 Vib (Bot)    2  0.294352D+01          0.468868          1.079608
 Vib (Bot)    3  0.205439D+01          0.312684          0.719981
 Vib (Bot)    4  0.790535D+00         -0.102079         -0.235046
 Vib (Bot)    5  0.782181D+00         -0.106693         -0.245669
 Vib (Bot)    6  0.569316D+00         -0.244647         -0.563320
 Vib (Bot)    7  0.532343D+00         -0.273809         -0.630468
 Vib (Bot)    8  0.496046D+00         -0.304478         -0.701086
 Vib (Bot)    9  0.455301D+00         -0.341701         -0.786796
 Vib (Bot)   10  0.384453D+00         -0.415156         -0.955933
 Vib (Bot)   11  0.327913D+00         -0.484241         -1.115006
 Vib (Bot)   12  0.312756D+00         -0.504794         -1.162331
 Vib (Bot)   13  0.277868D+00         -0.556162         -1.280610
 Vib (Bot)   14  0.251620D+00         -0.599255         -1.379836
 Vib (V=0)       0.340785D+03          2.532480          5.831251
 Vib (V=0)    1  0.444689D+01          0.648057          1.492206
 Vib (V=0)    2  0.348569D+01          0.542289          1.248666
 Vib (V=0)    3  0.261436D+01          0.417366          0.961021
 Vib (V=0)    4  0.143539D+01          0.156968          0.361433
 Vib (V=0)    5  0.142834D+01          0.154830          0.356510
 Vib (V=0)    6  0.125771D+01          0.099580          0.229291
 Vib (V=0)    7  0.123033D+01          0.090023          0.207286
 Vib (V=0)    8  0.120432D+01          0.080741          0.185912
 Vib (V=0)    9  0.117624D+01          0.070496          0.162322
 Vib (V=0)   10  0.113072D+01          0.053354          0.122852
 Vib (V=0)   11  0.109794D+01          0.040577          0.093432
 Vib (V=0)   12  0.108976D+01          0.037331          0.085957
 Vib (V=0)   13  0.107202D+01          0.030204          0.069548
 Vib (V=0)   14  0.105974D+01          0.025201          0.058027
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.722208D+08          7.858662         18.095238
 Rotational      0.681187D+06          5.833267         13.431593
 
                                                          ROA calculations.
                                                             IR Spectrum
 
     3    33             3    32                                       11         111111111 1  111                                   
     7    65             1    09                                       87         444333222 2  000  998   777 6 5 55543333 22    1   
     5    09             7    19                                       18         730760954 0  996  209   651 6 9 61049642 54    075 
     4    97             6    58                                       74         659937992 9  333  894   168 2 6 07173878 07    003 
 
     X    XX             X    XX                                       XX         XXXXXXXXX X  XXX  XXX   XXX X X XXXXXXXX XX    XXX 
     X    XX             X                                             XX         XXXX  X   X  X      X              X               
          XX             X                                             XX         XX X                               X               
                         X                                             XX            X                                               
                         X                                             XX            X                                               
                         X                                              X            X                                               
                         X                                              X            X                                               
                         X                                                                                                           
                         X                                                                                                           
                         X                                                                                                           
                         X                                                                                                           
                         X                                                                                                           
                         X                                                                                                           
                         X                                                                                                           
                         X                                                                                                           
                         X                                                                                                           
                         X                                                                                                           
                         X                                                                                                           
                         X                                                                                                           
                         X                                                                                                           
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.000007738   -0.000008173   -0.000001522
      2        8           0.000001648   -0.000001295    0.000001220
      3        8           0.000001751    0.000002442    0.000001220
      4        6           0.000477780    0.008318076    0.000708473
      5        6          -0.000037645    0.008343015   -0.000231519
      6        6           0.000000992   -0.000001732   -0.000001707
      7        8           0.000004496   -0.000004917    0.000001812
      8        8           0.000005405    0.000002382   -0.000001042
      9        8          -0.000004796    0.000001437    0.000004323
     10        8          -0.000001287    0.000004163    0.000000540
     11        1          -0.000391200   -0.008323578   -0.000567945
     12        1          -0.000045168   -0.008343739    0.000085983
     13        1           0.000000009    0.000007618   -0.000003661
     14        1          -0.000001640   -0.000000241    0.000004678
     15        1          -0.000000508    0.000001804   -0.000000544
     16        1          -0.000002098    0.000002738   -0.000000309
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.008343739 RMS     0.002410770
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.886837D+02  0.626253D+00  0.251348D+01
      2   0.626253D+00  0.791257D+02 -0.963643D+00
      3   0.251348D+01 -0.963643D+00  0.534051D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1   0.247176D+01 -0.106976D+01 -0.637443D+01
      2  -0.291673D+01 -0.128671D+01 -0.412047D+01
      3  -0.119674D+02 -0.905162D+00 -0.405590D+00
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1  -0.107612D+02  0.151681D+02 -0.847149D+01
      2   0.445994D+01 -0.788587D+01  0.554518D+01
      3   0.630123D+01 -0.728219D+01  0.292631D+01
      4   0.178223D+02 -0.398891D+01 -0.782214D-01
      5  -0.805889D+01  0.509683D+00 -0.459675D+01
      6  -0.589194D+00  0.122872D+01  0.154403D+02
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    48 ND12= 1 LenFil=    1731:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.268178D+01 -0.815747D+00 -0.183478D+00  0.280373D+01  0.189808D+01
      2  -0.815747D+00  0.256538D+01  0.118469D+00  0.189808D+01  0.563912D+01
      3  -0.183478D+00  0.118469D+00  0.520564D+00 -0.778728D-01 -0.474791D+00
                 6             7             8             9            10 
      1  -0.778728D-01 -0.100695D+01  0.770570D+00  0.443267D+00 -0.280031D+01
      2  -0.474791D+00  0.770570D+00 -0.650970D+00  0.224822D+00 -0.210048D+01
      3   0.175440D+00  0.443267D+00  0.224822D+00 -0.598350D+00  0.196392D+00
                11            12            13            14            15 
      1  -0.210048D+01  0.196392D+00 -0.584365D+01 -0.503521D+00  0.119251D+00
      2  -0.130570D+01  0.145062D+00 -0.503521D+00 -0.118657D+02  0.454908D+00
      3   0.145062D+00 -0.572690D+00  0.119251D+00  0.454908D+00 -0.188133D+01
                16            17            18            19            20 
      1   0.276282D+00  0.549400D-01 -0.466817D+00  0.983357D+01 -0.343164D+00
      2   0.549400D-01  0.441891D+00 -0.267585D+01 -0.343164D+00  0.385700D+00
      3  -0.466817D+00 -0.267585D+01  0.517059D+00  0.294430D+00  0.984192D-01
                21            22            23            24            25 
      1   0.294430D+00 -0.265048D+01  0.965311D+00  0.456004D-01  0.132098D+01
      2   0.984192D-01  0.965311D+00 -0.384733D+01  0.125047D+00 -0.354444D+00
      3   0.118554D+01  0.456004D-01  0.125047D+00 -0.153576D+00  0.235572D+01
                26            27            28            29            30 
      1  -0.354444D+00  0.235572D+01  0.433052D+01 -0.113690D+01 -0.584764D+00
      2   0.236502D+00  0.175517D+00 -0.113690D+01 -0.153063D+01 -0.487555D+00
      3   0.175517D+00  0.432088D+00 -0.584764D+00 -0.487555D+00  0.159158D+01
                31            32            33            34            35 
      1  -0.175501D+01 -0.246234D+01  0.119687D+00 -0.184581D+01 -0.106479D+01
      2  -0.246234D+01 -0.249484D+01 -0.261812D+00 -0.106479D+01  0.139274D+00
      3   0.119687D+00 -0.261812D+00  0.123143D+00  0.180628D+01 -0.631531D+00
                36            37            38            39            40 
      1   0.180628D+01 -0.484941D+01  0.142057D+01  0.280105D+00 -0.990037D+00
      2  -0.631531D+00  0.142057D+01  0.183253D+01  0.114228D-01  0.231671D+01
      3   0.694770D+01  0.280105D+00  0.114228D-01 -0.149746D+01  0.213837D+00
                41            42            43            44            45 
      1   0.231671D+01  0.213837D+00  0.937195D+00 -0.933668D+00 -0.201676D+01
      2  -0.106005D+01  0.372766D+00 -0.933668D+00  0.381914D+00  0.606953D+00
      3   0.372766D+00  0.770403D+00 -0.201676D+01  0.606953D+00 -0.721577D+01
                46            47            48            49            50 
      1   0.726758D+01 -0.247534D+01  0.117840D+01 -0.473624D+01 -0.175405D+01
      2  -0.247534D+01  0.119098D+01 -0.970248D-02 -0.175405D+01  0.518665D+00
      3   0.117840D+01 -0.970248D-02  0.648826D+00 -0.265084D+00 -0.329625D+00
                51            52            53            54            55 
      1  -0.265084D+00  0.208398D+01  0.241609D+00  0.320614D+00 -0.155146D+02
      2  -0.329625D+00  0.241609D+00  0.441781D+00 -0.584529D+00  0.146493D+01
      3  -0.875630D+00  0.320614D+00 -0.584529D+00  0.877522D+00 -0.141990D+01
                56            57            58            59            60 
      1   0.146493D+01 -0.141990D+01  0.204338D+01 -0.212097D+01  0.134862D+00
      2  -0.400016D+01  0.152401D+00 -0.212097D+01  0.187167D+01 -0.319378D+00
      3   0.152401D+00 -0.234250D+01  0.134862D+00 -0.319378D+00  0.829359D+00
                61            62            63            64            65 
      1  -0.225010D+01 -0.708352D-01 -0.354041D+01  0.551139D+01  0.161278D+01
      2  -0.708352D-01 -0.887863D+00  0.496600D+00  0.161278D+01  0.487117D+01
      3  -0.354041D+01  0.496600D+00 -0.166490D+01  0.498151D+00  0.219368D-01
                66            67            68            69            70 
      1   0.498151D+00  0.820009D+00  0.391734D+01 -0.187927D+00  0.116828D+01
      2   0.219368D-01  0.391734D+01  0.146188D+01  0.419724D+00  0.523122D+00
      3   0.511329D-01 -0.187927D+00  0.419724D+00 -0.399220D+00  0.639332D+00
                71            72            73            74            75 
      1   0.523122D+00  0.639332D+00  0.262662D+01  0.154874D+01  0.222802D+00
      2   0.125318D+01  0.109895D+01  0.154874D+01  0.164950D+01 -0.286295D+00
      3   0.109895D+01  0.136423D+00  0.222802D+00 -0.286295D+00  0.898648D+00
                76            77            78            79            80 
      1   0.244529D+01 -0.160100D+01 -0.439369D+00  0.781087D+00  0.509512D-01
      2  -0.160100D+01  0.729794D+01  0.133052D+00  0.509512D-01  0.383875D+00
      3  -0.439369D+00  0.133052D+00  0.138687D+00 -0.233130D+00  0.120054D+01
                81            82            83            84            85 
      1  -0.233130D+00 -0.860466D+01 -0.142938D+01  0.274579D-01  0.998814D+00
      2   0.120054D+01 -0.142938D+01 -0.142786D+01  0.155629D+00 -0.344958D+00
      3   0.431879D+00  0.274579D-01  0.155629D+00 -0.140119D+00  0.268635D+00
                86            87            88            89            90 
      1  -0.344958D+00  0.268635D+00 -0.260113D+00  0.170468D+00  0.129750D+00
      2  -0.782095D+01  0.112231D+00  0.170468D+00 -0.200300D+00 -0.199535D+01
      3   0.112231D+00 -0.102641D+01  0.129750D+00 -0.199535D+01  0.101154D+00
                91            92            93            94            95 
      1  -0.169720D+01  0.145594D+00 -0.112816D+01  0.302621D+00  0.429919D+00
      2   0.145594D+00  0.463057D-02  0.563727D-01  0.429919D+00  0.697366D+00
      3  -0.112816D+01  0.563727D-01 -0.138397D+01 -0.974368D-01 -0.118406D+01
                96            97            98            99           100 
      1  -0.974368D-01 -0.144917D+01  0.307609D+00 -0.669184D+00  0.174082D+01
      2  -0.118406D+01  0.307609D+00 -0.189593D+01  0.678090D+00 -0.244423D+00
      3   0.598973D+00 -0.669184D+00  0.678090D+00 -0.825978D+01  0.122143D+01
               101           102           103           104           105 
      1  -0.244423D+00  0.122143D+01 -0.181553D+00 -0.371888D+00 -0.135768D-01
      2  -0.150988D+00 -0.461198D-01 -0.371888D+00  0.304288D+00  0.115044D+01
      3  -0.461198D-01  0.142620D+01 -0.135768D-01  0.115044D+01  0.273636D+00
               106           107           108           109           110 
      1   0.176009D+01  0.244447D+00  0.107939D+01  0.953397D+01 -0.538394D+00
      2   0.244447D+00  0.157114D+01  0.117252D+00 -0.538394D+00  0.143286D+01
      3   0.107939D+01  0.117252D+00  0.862586D+01 -0.105994D+00 -0.964900D-01
               111           112           113           114           115 
      1  -0.105994D+00 -0.339226D+00  0.343836D+00 -0.715804D-01  0.338843D+00
      2  -0.964900D-01  0.343836D+00 -0.180164D+01  0.952695D-01 -0.110019D+00
      3   0.385605D+00 -0.715804D-01  0.952695D-01 -0.532672D+00 -0.366638D-01
               116           117           118           119           120 
      1  -0.110019D+00 -0.366638D-01  0.226549D+01  0.142986D+01  0.280867D-01
      2   0.246639D+00 -0.562704D+00  0.142986D+01  0.807844D+00  0.388906D-01
      3  -0.562704D+00  0.127921D+00  0.280867D-01  0.388906D-01  0.724164D+00
               121           122           123           124           125 
      1   0.416156D+01  0.110068D+01  0.112714D+00 -0.149108D+00  0.258007D-01
      2   0.110068D+01  0.463055D+01 -0.313125D-01  0.258007D-01 -0.525565D-01
      3   0.112714D+00 -0.313125D-01  0.592934D+00  0.722964D+00  0.383689D+00
               126           127           128           129           130 
      1   0.722964D+00 -0.177532D+01  0.773721D+00 -0.329648D-01  0.218789D+01
      2   0.383689D+00  0.773721D+00 -0.263000D+01 -0.104669D-01 -0.912805D+00
      3   0.923460D-01 -0.329648D-01 -0.104669D-01 -0.235802D+00  0.214348D-01
               131           132           133           134           135 
      1  -0.912805D+00  0.214348D-01 -0.408291D+00  0.493806D-01  0.112135D+00
      2   0.667827D+01 -0.153720D+00  0.493806D-01 -0.574203D+00  0.904618D+00
      3  -0.153720D+00  0.110250D+01  0.112135D+00  0.904618D+00 -0.516803D-01
               136           137           138           139           140 
      1  -0.518667D+01  0.687646D+00 -0.491993D+00  0.732905D+00 -0.900343D+00
      2   0.687646D+00 -0.369526D+01  0.138026D+00 -0.900343D+00 -0.209271D+00
      3  -0.491993D+00  0.138026D+00 -0.125972D+01  0.116825D+00 -0.108732D+00
               141           142           143           144 
      1   0.116825D+00 -0.129720D+01  0.948634D-01 -0.646482D+00
      2  -0.108732D+00  0.948634D-01 -0.834378D+00  0.562933D+00
      3   0.263766D+00 -0.646482D+00  0.562933D+00 -0.499484D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.201641D+00 -0.433861D+00  0.111559D+01 -0.283702D+01  0.929627D+00
      2   0.122626D+01 -0.167026D+01 -0.550818D+01 -0.275817D+01 -0.507654D+00
      3   0.785943D+00 -0.483044D+01  0.876224D+00 -0.898720D+01 -0.646765D+01
                 6             7             8             9            10 
      1   0.829978D+01 -0.813226D+00  0.105789D+02 -0.195680D+01  0.446891D+00
      2   0.255024D+00 -0.144615D+02  0.300698D+01 -0.289344D+01 -0.291670D+00
      3   0.158825D+01  0.328951D+01  0.180207D+01 -0.180496D+01  0.742206D+01
                11            12            13            14            15 
      1   0.407211D+00 -0.758542D+00  0.262391D+00  0.171468D+01 -0.107138D+02
      2   0.241492D+00  0.354383D+01  0.105183D+00  0.633799D+00 -0.163292D+01
      3  -0.113681D+01 -0.715058D+00  0.190342D+02  0.174835D+02 -0.108701D+01
                16            17            18            19            20 
      1   0.150546D+01 -0.593399D+00  0.128191D+01  0.529964D+00 -0.117904D+00
      2  -0.265035D+01 -0.523349D+01  0.115379D+01  0.145206D+01  0.160968D+00
      3  -0.171256D+01 -0.479391D+00  0.526748D+01 -0.278535D+01 -0.793286D+01
                21            22            23            24            25 
      1  -0.180556D+00  0.561635D+00 -0.768683D+00 -0.242985D+01  0.177170D+01
      2   0.934701D+01  0.936615D+00  0.292347D+00 -0.158479D+01  0.531299D+01
      3  -0.264393D+00  0.947103D+00  0.167657D+02 -0.157348D+00 -0.109513D+01
                26            27            28            29            30 
      1   0.141121D+01  0.385276D+00  0.213312D+01  0.396307D+00  0.164356D+01
      2  -0.188781D+01  0.170476D+01 -0.200520D+01  0.151977D+00  0.236462D+01
      3  -0.145626D+01 -0.131866D+01 -0.973962D+00 -0.208578D+01 -0.636098D-01
                31            32            33            34            35 
      1   0.280668D+01  0.160618D+01 -0.169827D+01 -0.142382D+00  0.169152D+01
      2   0.169750D+01 -0.686561D-01 -0.245758D+01 -0.347032D+01 -0.100386D+01
      3   0.627805D+01  0.120021D+01 -0.490234D+00  0.258729D+00 -0.122515D+01
                36            37            38            39            40 
      1  -0.588973D+00 -0.233541D+01  0.168371D+01 -0.168561D+01  0.879626D+00
      2   0.287405D+01  0.274502D+00 -0.276816D+00  0.280683D+01 -0.140152D+01
      3   0.108029D+01  0.147700D+01 -0.133154D+01  0.356806D+00  0.679159D+01
                41            42            43            44            45 
      1  -0.365945D+00 -0.149743D+01  0.102888D+00  0.221063D+01  0.106784D+01
      2  -0.302207D+00  0.204937D+01 -0.365782D+01 -0.821260D+00  0.303648D+01
      3   0.185085D+01  0.372697D+00  0.107297D+00 -0.591578D+00 -0.487813D+00
                46            47            48            49            50 
      1   0.135400D+01 -0.469807D+01 -0.890377D+00 -0.318194D+01 -0.123418D+01
      2   0.280784D+01  0.211331D+01 -0.904462D+01  0.254147D+01  0.910392D+00
      3  -0.577426D+01  0.859066D+01 -0.118964D+01  0.138104D+01 -0.366806D+01
                51            52            53            54            55 
      1   0.624468D+01  0.250490D+01  0.134218D+02  0.100415D+01 -0.133307D+01
      2   0.168933D+01 -0.137035D+02 -0.279731D+01 -0.536736D+01  0.134538D+01
      3   0.123911D+01 -0.114662D+01  0.583375D+01 -0.801438D+00  0.952837D+01
                56            57            58            59            60 
      1   0.218073D+01  0.186401D+00  0.895078D+00 -0.383466D+00 -0.357033D+01
      2  -0.728450D+00  0.143671D+02 -0.991521D+00  0.844765D+00 -0.153191D+01
      3  -0.214570D+02  0.113032D+01 -0.185059D+01  0.894815D+01 -0.950031D+00
                61            62            63            64            65 
      1  -0.280965D+01  0.139281D+01 -0.103452D+01 -0.782519D+00 -0.698887D-01
      2   0.545518D+01  0.131234D+01  0.495629D+01  0.713922D+00  0.473046D+00
      3   0.782476D+00 -0.475225D+01  0.310227D+01  0.129310D+02 -0.117603D+02
                66            67            68            69            70 
      1  -0.252168D+01 -0.698821D+00 -0.257688D+01 -0.402148D+01 -0.126674D+01
      2   0.394658D+01 -0.880674D+00  0.268849D+00  0.189507D+01 -0.142135D+01
      3   0.441113D+00 -0.467433D+01  0.569714D+01 -0.284972D+00  0.258064D+01
                71            72            73            74            75 
      1   0.324209D+01 -0.176099D+01 -0.147864D+01 -0.758114D+00 -0.226140D+00
      2   0.130415D+01  0.970828D+00  0.297036D+00 -0.467993D+00  0.196529D+01
      3  -0.137266D+01 -0.326569D+00  0.136534D+02  0.849641D+01  0.130939D+01
                76            77            78            79            80 
      1  -0.582412D+00  0.183392D+01 -0.629054D+01 -0.346350D-01  0.109065D+01
      2   0.716700D+00  0.144320D-01 -0.213111D+01 -0.300425D+01  0.423498D-02
      3   0.988360D+01  0.892036D+01 -0.583855D-01  0.249046D+01  0.207723D+01
                81            82            83            84            85 
      1   0.448131D+00  0.274746D+00  0.984990D+00 -0.760939D+00 -0.406583D+00
      2  -0.165400D+00  0.367233D+00 -0.405189D+00  0.378895D+01 -0.484663D+00
      3   0.121665D+01  0.241276D+02 -0.667295D+01 -0.426313D-02  0.600167D+01
                86            87            88            89            90 
      1  -0.102851D+01 -0.791280D+01 -0.178850D+01 -0.245324D+01 -0.259331D+00
      2  -0.225749D+00  0.317404D+00 -0.104614D+01  0.405607D+01  0.468048D+00
      3  -0.861650D+01  0.184665D-01  0.128331D+01 -0.158023D+01 -0.341889D+01
                91            92            93            94            95 
      1   0.934611D-02  0.238947D+00  0.735251D+00  0.571262D+00 -0.751167D+00
      2  -0.193558D+01  0.643893D-01 -0.192524D+00 -0.314876D-01 -0.809560D+00
      3  -0.104236D+01 -0.437979D+00 -0.505983D+00  0.940858D+00 -0.454310D+00
                96            97            98            99           100 
      1   0.127730D-01  0.233732D+00  0.308207D+01  0.258906D+01 -0.208685D+00
      2   0.874725D-01 -0.346630D+01  0.453720D+00 -0.450098D+01 -0.200951D+01
      3   0.649004D+00 -0.101724D+01  0.145923D+01 -0.965009D+00  0.642921D+00
               101           102           103           104           105 
      1   0.312696D+00 -0.700035D+00  0.216053D+00 -0.146453D+00  0.492615D-01
      2  -0.194456D+00 -0.242830D+00  0.222084D+00 -0.563912D+00 -0.808129D-01
      3  -0.971495D+00  0.522134D+00  0.699116D+00 -0.308746D+00  0.685382D+00
               106           107           108           109           110 
      1  -0.420677D+00  0.292613D+01 -0.312491D+01 -0.704446D+00 -0.149652D+00
      2  -0.403967D+01  0.889247D-01 -0.468217D+01 -0.817856D+00  0.175518D+00
      3   0.640050D+00  0.758481D+00  0.351799D+00 -0.297409D+02  0.866090D+01
               111           112           113           114           115 
      1   0.112560D+01 -0.567688D-01  0.507069D-01 -0.550750D+00  0.188859D+00
      2  -0.313320D+01  0.145711D+00 -0.265141D+00  0.379277D+00 -0.307508D+01
      3   0.313353D+00  0.413578D+01 -0.216425D+01  0.213992D+00 -0.125239D+01
               116           117           118           119           120 
      1   0.465254D+00  0.164726D+00  0.345294D+00 -0.171998D+00 -0.915280D+00
      2   0.511963D+00  0.705790D-01  0.664836D-01 -0.151484D+00  0.107547D+01
      3   0.422111D+00 -0.216504D+00 -0.492152D+01 -0.148624D+01 -0.100429D+00
               121           122           123           124           125 
      1  -0.510808D-01  0.771597D+00  0.110635D+00  0.173347D+00  0.133702D+01
      2   0.246887D-01  0.125326D+00  0.288566D+01  0.465533D+00  0.168198D+01
      3  -0.197483D+01 -0.218246D+02 -0.119436D+00 -0.703139D-01  0.440276D+00
               126           127           128           129           130 
      1   0.667123D-01 -0.990655D-01 -0.732327D-01  0.982566D+00 -0.172304D+00
      2   0.507068D-01 -0.511910D+00  0.131505D+00 -0.641638D+00  0.385532D+00
      3  -0.101559D+01 -0.104025D+02  0.623750D+01  0.678855D-01  0.969546D+01
               131           132           133           134           135 
      1   0.245797D+00 -0.265346D+01 -0.214137D+00 -0.979199D+00  0.128565D+00
      2  -0.342050D+00  0.808754D+00 -0.148719D+01  0.844945D+00  0.197044D+00
      3  -0.127299D+02  0.182513D+00 -0.148410D+01  0.764238D+00 -0.663913D+00
               136           137           138           139           140 
      1   0.205013D+01  0.268122D+00  0.285020D+01  0.537095D+00  0.584563D+00
      2   0.278105D+00 -0.993533D-01  0.225984D+01 -0.227455D+00 -0.498075D-02
      3  -0.152408D+02 -0.114443D+02 -0.169142D+01 -0.395983D+01 -0.431882D+01
               141           142           143           144 
      1  -0.810241D-01  0.132242D+01  0.738030D+00  0.110674D+01
      2  -0.948240D+00 -0.919406D-01 -0.183467D+01  0.871526D+00
      3  -0.546758D+00 -0.365412D+01 -0.209987D+01  0.855830D-03
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.252940D+02  0.321740D+01 -0.522764D+00  0.113592D+01  0.244824D+02
      2   0.149420D+02 -0.574374D+01  0.140985D+01  0.854191D+00 -0.311895D+02
      3   0.103520D+02  0.252633D+01 -0.887091D+00 -0.199011D+01  0.670711D+01
      4  -0.442782D+01  0.681600D+00  0.121886D+00 -0.390083D+01  0.963828D+01
      5  -0.978402D+00 -0.636186D+00 -0.845154D+01 -0.391051D+00  0.432900D-01
      6  -0.375586D+00  0.482666D+00 -0.358087D+01  0.938307D+00 -0.138994D+01
                 6             7             8             9            10 
      1  -0.888376D+00 -0.551894D+01 -0.236917D+01 -0.388962D+01 -0.264613D+01
      2  -0.162809D+00  0.372571D+01  0.260078D+01 -0.677810D+01  0.578183D+01
      3   0.105118D+01  0.179323D+01 -0.231613D+00  0.106677D+02 -0.313570D+01
      4  -0.605104D+00  0.244513D+01 -0.192926D+01  0.256389D+00 -0.223747D+01
      5  -0.192002D+01  0.396596D+01  0.157394D+01 -0.324115D+01  0.445371D+00
      6  -0.957888D+01 -0.795872D+00  0.255406D+01  0.186663D+01 -0.257150D+00
                11            12            13            14            15 
      1  -0.880187D+01  0.237726D+00 -0.143979D+02 -0.362543D+02 -0.166519D-01
      2   0.827807D+01 -0.295148D+00  0.856677D+01  0.533513D+02 -0.312752D-01
      3   0.523802D+00  0.574226D-01  0.583109D+01 -0.170970D+02  0.479271D-01
      4   0.153125D+02 -0.565543D+00  0.148590D+02 -0.264803D+02  0.613450D+00
      5  -0.895994D-01  0.546055D+01  0.183724D+00 -0.122327D+00 -0.343960D+01
      6   0.300879D-01  0.166521D+01 -0.103967D+01  0.130399D+01  0.159783D+02
                16            17            18            19            20 
      1   0.857758D+00  0.146522D+01 -0.100663D+02  0.683630D+02 -0.164140D+01
      2  -0.109552D+01 -0.129225D+01  0.742543D+01 -0.411274D+02  0.112911D+01
      3   0.237761D+00 -0.172965D+00  0.264084D+01 -0.272356D+02  0.512290D+00
      4  -0.640064D+00  0.335079D+00 -0.711077D+01 -0.364413D+01  0.947846D+01
      5   0.292273D+01 -0.839541D+01  0.119439D+01  0.111814D+01  0.760547D+00
      6   0.977185D+00  0.140169D+02 -0.151107D+01  0.717453D+00 -0.231545D+00
                21            22            23            24            25 
      1   0.144100D+01 -0.114371D+02  0.235655D+01  0.131866D+00  0.462235D+01
      2  -0.811358D+00  0.592565D+01  0.481971D+00  0.159542D+00 -0.349973D+01
      3  -0.629638D+00  0.551147D+01 -0.283852D+01 -0.291408D+00 -0.112262D+01
      4   0.531815D+00  0.110434D+02 -0.182994D+02  0.888358D+00 -0.659201D-01
      5   0.175057D+02  0.587468D-01  0.717958D+00 -0.138827D+01  0.194171D+02
      6   0.251887D+00  0.408945D+00 -0.261012D+00  0.442158D+01 -0.201626D+01
                26            27            28            29            30 
      1   0.701055D+00  0.104792D+02 -0.122548D+00  0.350013D+01  0.254372D+01
      2   0.162946D+00 -0.107008D+02  0.870462D+00 -0.958908D+01  0.244452D+01
      3  -0.864001D+00  0.221508D+00 -0.747914D+00  0.608895D+01 -0.498824D+01
      4   0.884669D+00 -0.185402D+01 -0.585390D+01 -0.477292D+01 -0.124667D+01
      5   0.388967D+00  0.322503D+01 -0.218115D+01  0.253672D-01 -0.456733D+00
      6   0.341021D+01 -0.583326D+00  0.133993D+01 -0.184480D+01 -0.633766D+00
                31            32            33            34            35 
      1  -0.301987D+01 -0.121020D+01  0.109511D+01  0.137620D+01 -0.282171D+01
      2  -0.270470D+01 -0.270703D+01 -0.476814D+00  0.186411D+01 -0.421848D+01
      3   0.572456D+01  0.391722D+01 -0.618298D+00 -0.324032D+01  0.704019D+01
      4  -0.984933D+01 -0.125049D+02  0.693462D+00 -0.617804D+01  0.324772D+00
      5  -0.495281D-01 -0.522457D+00 -0.290541D+01  0.178123D+01  0.983217D+00
      6   0.308226D+00 -0.515940D-01 -0.257938D+01  0.305265D+01 -0.100756D+00
                36            37            38            39            40 
      1   0.108161D+02  0.275519D+01 -0.451982D+01  0.395215D+01  0.437574D+01
      2   0.831309D+01 -0.177689D+01  0.779408D+01  0.158945D+01 -0.300276D-01
      3  -0.191292D+02 -0.978294D+00 -0.327427D+01 -0.554159D+01 -0.434571D+01
      4   0.187600D+01  0.339969D+01 -0.417408D+01 -0.157289D-01 -0.841330D+01
      5   0.289165D+01  0.307714D+00 -0.637051D+00  0.153882D+00  0.519166D+00
      6   0.883970D+01 -0.161281D+01 -0.196487D+00  0.222714D+01  0.182644D+01
                41            42            43            44            45 
      1   0.165021D+00 -0.133742D+01  0.604411D+01  0.153127D+01  0.115350D+02
      2  -0.617545D+01 -0.166609D+01  0.792484D+00  0.151469D+01  0.902976D+01
      3   0.601043D+01  0.300352D+01 -0.683660D+01 -0.304596D+01 -0.205647D+02
      4   0.595661D+01  0.950635D+00  0.281005D+01 -0.930242D+00 -0.354286D+01
      5  -0.220641D+00  0.267678D+01  0.134858D+01 -0.184465D+01  0.268840D+01
      6  -0.631386D+00 -0.207235D+01 -0.322886D+01  0.195157D+01 -0.814417D+01
                46            47            48            49            50 
      1  -0.505392D+02  0.233050D+01 -0.274038D+01  0.177321D+02  0.175958D+02
      2   0.322359D+02  0.225823D+01  0.559407D+01 -0.121940D+02 -0.206001D+02
      3   0.183033D+02 -0.458874D+01 -0.285369D+01 -0.553807D+01  0.300429D+01
      4   0.553783D+01 -0.130829D+02 -0.610228D-01  0.416642D+01  0.195705D+01
      5  -0.599406D+01  0.890632D+00 -0.134356D+02  0.253204D+01  0.178188D+01
      6  -0.428752D+00 -0.452906D+00  0.310010D+01  0.210539D+01  0.191487D+01
                51            52            53            54            55 
      1   0.743945D+00 -0.117670D+02  0.130660D+01 -0.815588D+01  0.100927D+03
      2  -0.313469D+00  0.866375D+01  0.690723D+00 -0.286947D+01 -0.606880D+02
      3  -0.430476D+00  0.310320D+01 -0.199732D+01  0.110254D+02 -0.402390D+02
      4   0.198777D+01  0.475384D+00 -0.328774D+01  0.129298D+01 -0.189677D+01
      5   0.493722D+01  0.149586D+01  0.463428D+00 -0.696330D+01  0.827030D+01
      6  -0.886394D+01 -0.685136D+00  0.242995D+01 -0.516090D+00  0.180436D+00
                56            57            58            59            60 
      1  -0.757401D+01  0.574407D+01 -0.101820D+02  0.703067D+01 -0.609777D+00
      2   0.571516D+01 -0.566515D+01  0.770405D+01 -0.270572D+00  0.710689D+00
      3   0.185886D+01 -0.789114D-01  0.247796D+01 -0.676010D+01 -0.100912D+00
      4   0.252747D+02 -0.445323D+00  0.176102D+02 -0.554809D+01  0.201869D+01
      5  -0.125137D+01  0.244963D+02 -0.104817D+01  0.173614D+01 -0.383654D+01
      6   0.524222D+00 -0.433513D+00  0.906818D+00  0.295706D+00  0.569975D+01
                61            62            63            64            65 
      1   0.972661D+01 -0.111614D+01  0.156819D+02  0.135817D+02 -0.116601D+02
      2  -0.843678D+01  0.257282D+00 -0.147676D+02 -0.557629D+01  0.209221D+02
      3  -0.128983D+01  0.858857D+00 -0.914301D+00 -0.800546D+01 -0.926194D+01
      4  -0.100128D+01  0.437234D+01 -0.280767D+00  0.156984D+02  0.183598D+02
      5   0.258493D+02 -0.189018D+01  0.109296D+02  0.125216D+01  0.781547D-01
      6   0.256977D+01  0.395601D+01  0.108263D+01  0.130419D+01 -0.350366D+00
                66            67            68            69            70 
      1   0.368213D+00 -0.713805D+01  0.418953D+01 -0.304787D+01  0.251290D+01
      2  -0.196285D+01  0.127708D+02  0.225233D+01  0.594530D+00 -0.917857D+00
      3   0.159463D+01 -0.563274D+01 -0.644186D+01  0.245334D+01 -0.159504D+01
      4   0.138722D+01  0.173291D+02  0.185049D+02  0.861616D+00  0.505130D+01
      5   0.718955D+01 -0.225561D-01  0.107930D+01  0.335110D+01  0.615444D+01
      6   0.335152D+01 -0.981225D+00  0.272925D+01  0.695359D+01  0.382835D+01
                71            72            73            74            75 
      1  -0.209233D+01 -0.324059D+01 -0.534787D+01 -0.270475D+01 -0.224372D+01
      2   0.571049D+01 -0.140274D+01  0.562990D+01  0.819039D+00 -0.937359D+00
      3  -0.361816D+01  0.464333D+01 -0.282036D+00  0.188571D+01  0.318108D+01
      4   0.407061D+01  0.474668D+01  0.374228D+01  0.907065D+00  0.188074D+01
      5   0.345634D+01  0.142026D+01 -0.157423D+01  0.703029D+00  0.439247D+01
      6   0.710046D+01  0.225828D+01  0.181304D+01 -0.665214D+00  0.267457D+00
                76            77            78            79            80 
      1  -0.222857D+01 -0.196418D+02  0.192220D+01 -0.976546D+00 -0.135060D+01
      2  -0.241126D+01  0.330379D+02  0.131795D+01  0.108556D+01 -0.721097D+00
      3   0.463983D+01 -0.133961D+02 -0.324015D+01 -0.109009D+00  0.207170D+01
      4   0.156289D+02 -0.244084D+02 -0.102541D+01  0.149931D+01 -0.394795D+00
      5   0.614897D-01 -0.789222D+00 -0.439691D+01  0.362454D+01 -0.300685D+01
      6  -0.190464D+01  0.708095D+00  0.100596D+02 -0.151977D+01  0.807294D+01
                81            82            83            84            85 
      1  -0.582842D+01  0.117078D+02  0.413173D+01  0.485110D+00 -0.300957D+01
      2   0.169744D+01 -0.375737D+01 -0.216057D+01 -0.666817D+00  0.293808D+01
      3   0.413098D+01 -0.795047D+01 -0.197116D+01  0.181707D+00  0.714849D-01
      4  -0.329149D+01  0.204915D+02  0.211080D+02 -0.789170D+00  0.846034D+01
      5  -0.316067D+00  0.316187D+00 -0.767334D+00  0.702680D+01 -0.139033D+01
      6   0.649140D+00  0.427900D+00 -0.261105D+00  0.185136D+00 -0.181216D+01
                86            87            88            89            90 
      1  -0.264501D+02  0.439436D+00  0.239034D+00 -0.630839D+00 -0.817294D+01
      2   0.400094D+02 -0.388773D+00 -0.126214D+01  0.143635D+00  0.498593D+01
      3  -0.135593D+02 -0.506630D-01  0.102310D+01  0.487203D+00  0.318701D+01
      4   0.197477D+02 -0.143843D+01 -0.281627D+00  0.251998D+00  0.643540D+01
      5  -0.209133D+01  0.156695D+01  0.408454D+01  0.688100D+01 -0.263265D+00
      6  -0.245335D+01  0.142084D+02 -0.518533D-01  0.128984D+02 -0.718057D+00
                91            92            93            94            95 
      1  -0.194421D+01 -0.152358D-01 -0.327948D+01 -0.360563D+00 -0.336268D+01
      2  -0.288375D+01  0.450053D+00 -0.114456D+01  0.666708D-01  0.290388D+00
      3   0.482796D+01 -0.434817D+00  0.442404D+01  0.293892D+00  0.307229D+01
      4  -0.665939D+00  0.187852D+01 -0.147551D+01  0.260356D+01  0.115856D+01
      5   0.263039D+00 -0.646795D+00  0.493997D+01 -0.183241D+00 -0.626734D+00
      6  -0.191605D+01  0.773860D+00 -0.184562D+01  0.296024D+00 -0.201579D+01
                96            97            98            99           100 
      1   0.185350D+01 -0.382035D+01  0.338747D+01 -0.199324D+02 -0.244289D+01
      2  -0.140833D+01 -0.105486D+01 -0.102055D+01 -0.152683D+02 -0.276029D+01
      3  -0.445172D+00  0.487520D+01 -0.236691D+01  0.352008D+02  0.520318D+01
      4  -0.135732D+01 -0.949205D+00 -0.277619D+01 -0.102531D+00  0.110884D+01
      5   0.417951D+00  0.368139D+01  0.327399D+00 -0.585070D+01  0.303252D+00
      6   0.655496D+01 -0.921500D+00  0.527553D+01 -0.104809D+02  0.165421D+01
               101           102           103           104           105 
      1   0.540850D+00 -0.353755D+01  0.702320D+00 -0.296615D+01 -0.117352D+01
      2  -0.449497D+00 -0.110651D+01 -0.905644D-01 -0.255516D+00  0.206764D+01
      3  -0.913525D-01  0.464407D+01 -0.611755D+00  0.322167D+01 -0.894114D+00
      4   0.238083D+01  0.135686D+01  0.239259D+01 -0.181251D+00 -0.134730D+01
      5   0.318802D+00  0.527885D+01 -0.172556D+00 -0.502178D+00 -0.151465D+00
      6   0.642650D+00  0.149085D+01  0.718539D+00  0.131504D+01  0.633323D+01
               106           107           108           109           110 
      1  -0.559748D+01 -0.205293D+01 -0.216460D+02 -0.131752D+02  0.383958D+01
      2  -0.116164D+01  0.227527D+01 -0.157927D+02  0.674855D+01 -0.480594D+01
      3   0.675913D+01 -0.222344D+00  0.374387D+02  0.642666D+01  0.966363D+00
      4   0.145650D+01 -0.239145D+01  0.994454D+00 -0.170195D+02 -0.136614D+02
      5   0.382551D+01 -0.449576D-01 -0.569736D+01 -0.583081D+00  0.436169D+00
      6   0.126148D+01  0.475165D+01  0.932599D+01 -0.584676D+00  0.324380D+00
               111           112           113           114           115 
      1  -0.489390D+00  0.159362D+01 -0.599526D+01  0.373025D+00  0.177336D+00
      2   0.447669D-02 -0.144833D+01  0.819466D+01 -0.338698D+00 -0.497155D-01
      3   0.484914D+00 -0.145297D+00 -0.219940D+01 -0.343275D-01 -0.127621D+00
      4   0.410536D+00  0.556228D+00  0.160259D+01  0.976107D-01 -0.395019D+00
      5  -0.567417D+01  0.569517D-01 -0.264096D+00  0.615960D+00  0.312923D+00
      6  -0.141718D+01  0.284737D+00 -0.475608D+00  0.165576D+01 -0.139915D+00
               116           117           118           119           120 
      1   0.771867D+00 -0.235853D+01  0.108508D+02  0.732849D+01  0.104602D+00
      2  -0.680196D+00  0.731377D+00 -0.478402D+01 -0.343205D+01  0.472126D-01
      3  -0.916706D-01  0.162716D+01 -0.606675D+01 -0.389644D+01 -0.151815D+00
      4   0.279033D+00  0.443007D+00  0.837073D+01  0.611671D+01  0.327383D-02
      5   0.726912D+00  0.212530D+00 -0.135363D+00  0.156823D-01  0.259179D+01
      6   0.266411D+01 -0.481321D+00  0.647792D-02  0.328291D-01  0.137053D+01
               121           122           123           124           125 
      1   0.224532D+02  0.501261D+01  0.581841D+00 -0.864880D+00  0.385713D-01
      2  -0.132056D+02 -0.170626D+01 -0.565453D+00  0.421746D+00 -0.236113D+00
      3  -0.924753D+01 -0.330635D+01 -0.163881D-01  0.443134D+00  0.197542D+00
      4   0.775605D+01  0.229999D+02 -0.853425D-01 -0.107719D+00 -0.197865D+00
      5   0.550011D+00 -0.234559D+00  0.459225D+01  0.468149D+01  0.272068D+01
      6   0.777554D-01  0.431576D+00 -0.236419D+00  0.802171D+00  0.160005D+01
               126           127           128           129           130 
      1   0.188536D+01 -0.443349D+01  0.980231D+01 -0.699705D+00  0.741261D+01
      2  -0.204048D+01  0.455155D+01 -0.132292D+02  0.231538D+00 -0.681850D+01
      3   0.155121D+00 -0.118052D+00  0.342688D+01  0.468166D+00 -0.594110D+00
      4   0.279638D+01 -0.394382D+01 -0.135276D+01 -0.154358D+00  0.387114D+01
      5   0.245849D+00 -0.973658D-01  0.120601D+00 -0.981629D+00  0.530962D-01
      6   0.600272D-01 -0.524075D+00  0.107237D+01 -0.120007D+01  0.107950D+00
               131           132           133           134           135 
      1  -0.222102D+02  0.762998D+00 -0.400563D+00  0.206216D+01 -0.346214D+01
      2   0.331800D+02 -0.102221D+01  0.515773D+00 -0.238374D+01  0.334672D+01
      3  -0.109698D+02  0.259213D+00 -0.115210D+00  0.321586D+00  0.115413D+00
      4   0.819938D+01 -0.343291D+00 -0.599579D+00 -0.741036D+00  0.851283D+00
      5  -0.698177D+00  0.175144D+01  0.101025D+01  0.948855D+00  0.384348D+00
      6  -0.194432D+01  0.450827D+01 -0.186450D+00  0.571191D+01 -0.620424D+00
               136           137           138           139           140 
      1   0.160048D+02  0.306124D+01  0.198772D+01 -0.404937D+01  0.450755D+01
      2  -0.652858D+01 -0.837326D+01 -0.407017D+00  0.911834D+00 -0.239254D+01
      3  -0.947623D+01  0.531202D+01 -0.158070D+01  0.313754D+01 -0.211501D+01
      4  -0.180337D+02  0.146717D+02 -0.190263D+01  0.457018D+01 -0.171622D+01
      5   0.178097D+01 -0.284288D+00  0.336897D+01 -0.757799D+00  0.713151D+00
      6  -0.174454D+01  0.119352D+00 -0.479880D+01  0.272042D+00 -0.439162D+00
               141           142           143           144 
      1  -0.187881D+00  0.171376D+01  0.181194D+01  0.751837D+00
      2   0.238720D+00 -0.126655D+01 -0.216095D+01 -0.151306D+01
      3  -0.508384D-01 -0.447209D+00  0.349016D+00  0.761225D+00
      4   0.604092D+00 -0.351923D+01  0.213008D+01 -0.351013D+01
      5  -0.187145D+01  0.452790D+01 -0.266243D+01  0.165329D+01
      6   0.362640D+00 -0.231974D+01  0.283269D+01 -0.199068D+01
 Leave Link  716 at Fri Jul 16 13:26:59 2021, MaxMem=  5637144576 cpu:               1.8 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.886837D+02  0.626253D+00  0.251348D+01
      2   0.626253D+00  0.791257D+02 -0.963643D+00
      3   0.251348D+01 -0.963643D+00  0.534051D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1   0.247176D+01 -0.106976D+01 -0.637443D+01
      2  -0.291673D+01 -0.128671D+01 -0.412047D+01
      3  -0.119674D+02 -0.905162D+00 -0.405590D+00
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1  -0.107612D+02  0.151681D+02 -0.847149D+01
      2   0.445994D+01 -0.788587D+01  0.554518D+01
      3   0.630123D+01 -0.728219D+01  0.292631D+01
      4   0.178223D+02 -0.398891D+01 -0.782214D-01
      5  -0.805889D+01  0.509683D+00 -0.459675D+01
      6  -0.589194D+00  0.122872D+01  0.154403D+02
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    48 ND12= 1 LenFil=    1731:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.268178D+01 -0.815747D+00 -0.183478D+00  0.280373D+01  0.189808D+01
      2  -0.815747D+00  0.256538D+01  0.118469D+00  0.189808D+01  0.563912D+01
      3  -0.183478D+00  0.118469D+00  0.520564D+00 -0.778728D-01 -0.474791D+00
                 6             7             8             9            10 
      1  -0.778728D-01 -0.100695D+01  0.770570D+00  0.443267D+00 -0.280031D+01
      2  -0.474791D+00  0.770570D+00 -0.650970D+00  0.224822D+00 -0.210048D+01
      3   0.175440D+00  0.443267D+00  0.224822D+00 -0.598350D+00  0.196392D+00
                11            12            13            14            15 
      1  -0.210048D+01  0.196392D+00 -0.584365D+01 -0.503521D+00  0.119251D+00
      2  -0.130570D+01  0.145062D+00 -0.503521D+00 -0.118657D+02  0.454908D+00
      3   0.145062D+00 -0.572690D+00  0.119251D+00  0.454908D+00 -0.188133D+01
                16            17            18            19            20 
      1   0.276282D+00  0.549400D-01 -0.466817D+00  0.983357D+01 -0.343164D+00
      2   0.549400D-01  0.441891D+00 -0.267585D+01 -0.343164D+00  0.385700D+00
      3  -0.466817D+00 -0.267585D+01  0.517059D+00  0.294430D+00  0.984192D-01
                21            22            23            24            25 
      1   0.294430D+00 -0.265048D+01  0.965311D+00  0.456004D-01  0.132098D+01
      2   0.984192D-01  0.965311D+00 -0.384733D+01  0.125047D+00 -0.354444D+00
      3   0.118554D+01  0.456004D-01  0.125047D+00 -0.153576D+00  0.235572D+01
                26            27            28            29            30 
      1  -0.354444D+00  0.235572D+01  0.433052D+01 -0.113690D+01 -0.584764D+00
      2   0.236502D+00  0.175517D+00 -0.113690D+01 -0.153063D+01 -0.487555D+00
      3   0.175517D+00  0.432088D+00 -0.584764D+00 -0.487555D+00  0.159158D+01
                31            32            33            34            35 
      1  -0.175501D+01 -0.246234D+01  0.119687D+00 -0.184581D+01 -0.106479D+01
      2  -0.246234D+01 -0.249484D+01 -0.261812D+00 -0.106479D+01  0.139274D+00
      3   0.119687D+00 -0.261812D+00  0.123143D+00  0.180628D+01 -0.631531D+00
                36            37            38            39            40 
      1   0.180628D+01 -0.484941D+01  0.142057D+01  0.280105D+00 -0.990037D+00
      2  -0.631531D+00  0.142057D+01  0.183253D+01  0.114228D-01  0.231671D+01
      3   0.694770D+01  0.280105D+00  0.114228D-01 -0.149746D+01  0.213837D+00
                41            42            43            44            45 
      1   0.231671D+01  0.213837D+00  0.937195D+00 -0.933668D+00 -0.201676D+01
      2  -0.106005D+01  0.372766D+00 -0.933668D+00  0.381914D+00  0.606953D+00
      3   0.372766D+00  0.770403D+00 -0.201676D+01  0.606953D+00 -0.721577D+01
                46            47            48            49            50 
      1   0.726758D+01 -0.247534D+01  0.117840D+01 -0.473624D+01 -0.175405D+01
      2  -0.247534D+01  0.119098D+01 -0.970248D-02 -0.175405D+01  0.518665D+00
      3   0.117840D+01 -0.970248D-02  0.648826D+00 -0.265084D+00 -0.329625D+00
                51            52            53            54            55 
      1  -0.265084D+00  0.208398D+01  0.241609D+00  0.320614D+00 -0.155146D+02
      2  -0.329625D+00  0.241609D+00  0.441781D+00 -0.584529D+00  0.146493D+01
      3  -0.875630D+00  0.320614D+00 -0.584529D+00  0.877522D+00 -0.141990D+01
                56            57            58            59            60 
      1   0.146493D+01 -0.141990D+01  0.204338D+01 -0.212097D+01  0.134862D+00
      2  -0.400016D+01  0.152401D+00 -0.212097D+01  0.187167D+01 -0.319378D+00
      3   0.152401D+00 -0.234250D+01  0.134862D+00 -0.319378D+00  0.829359D+00
                61            62            63            64            65 
      1  -0.225010D+01 -0.708352D-01 -0.354041D+01  0.551139D+01  0.161278D+01
      2  -0.708352D-01 -0.887863D+00  0.496600D+00  0.161278D+01  0.487117D+01
      3  -0.354041D+01  0.496600D+00 -0.166490D+01  0.498151D+00  0.219368D-01
                66            67            68            69            70 
      1   0.498151D+00  0.820009D+00  0.391734D+01 -0.187927D+00  0.116828D+01
      2   0.219368D-01  0.391734D+01  0.146188D+01  0.419724D+00  0.523122D+00
      3   0.511329D-01 -0.187927D+00  0.419724D+00 -0.399220D+00  0.639332D+00
                71            72            73            74            75 
      1   0.523122D+00  0.639332D+00  0.262662D+01  0.154874D+01  0.222802D+00
      2   0.125318D+01  0.109895D+01  0.154874D+01  0.164950D+01 -0.286295D+00
      3   0.109895D+01  0.136423D+00  0.222802D+00 -0.286295D+00  0.898648D+00
                76            77            78            79            80 
      1   0.244529D+01 -0.160100D+01 -0.439369D+00  0.781087D+00  0.509512D-01
      2  -0.160100D+01  0.729794D+01  0.133052D+00  0.509512D-01  0.383875D+00
      3  -0.439369D+00  0.133052D+00  0.138687D+00 -0.233130D+00  0.120054D+01
                81            82            83            84            85 
      1  -0.233130D+00 -0.860466D+01 -0.142938D+01  0.274579D-01  0.998814D+00
      2   0.120054D+01 -0.142938D+01 -0.142786D+01  0.155629D+00 -0.344958D+00
      3   0.431879D+00  0.274579D-01  0.155629D+00 -0.140119D+00  0.268635D+00
                86            87            88            89            90 
      1  -0.344958D+00  0.268635D+00 -0.260113D+00  0.170468D+00  0.129750D+00
      2  -0.782095D+01  0.112231D+00  0.170468D+00 -0.200300D+00 -0.199535D+01
      3   0.112231D+00 -0.102641D+01  0.129750D+00 -0.199535D+01  0.101154D+00
                91            92            93            94            95 
      1  -0.169720D+01  0.145594D+00 -0.112816D+01  0.302621D+00  0.429919D+00
      2   0.145594D+00  0.463057D-02  0.563727D-01  0.429919D+00  0.697366D+00
      3  -0.112816D+01  0.563727D-01 -0.138397D+01 -0.974368D-01 -0.118406D+01
                96            97            98            99           100 
      1  -0.974368D-01 -0.144917D+01  0.307609D+00 -0.669184D+00  0.174082D+01
      2  -0.118406D+01  0.307609D+00 -0.189593D+01  0.678090D+00 -0.244423D+00
      3   0.598973D+00 -0.669184D+00  0.678090D+00 -0.825978D+01  0.122143D+01
               101           102           103           104           105 
      1  -0.244423D+00  0.122143D+01 -0.181553D+00 -0.371888D+00 -0.135768D-01
      2  -0.150988D+00 -0.461198D-01 -0.371888D+00  0.304288D+00  0.115044D+01
      3  -0.461198D-01  0.142620D+01 -0.135768D-01  0.115044D+01  0.273636D+00
               106           107           108           109           110 
      1   0.176009D+01  0.244447D+00  0.107939D+01  0.953397D+01 -0.538394D+00
      2   0.244447D+00  0.157114D+01  0.117252D+00 -0.538394D+00  0.143286D+01
      3   0.107939D+01  0.117252D+00  0.862586D+01 -0.105994D+00 -0.964900D-01
               111           112           113           114           115 
      1  -0.105994D+00 -0.339226D+00  0.343836D+00 -0.715804D-01  0.338843D+00
      2  -0.964900D-01  0.343836D+00 -0.180164D+01  0.952695D-01 -0.110019D+00
      3   0.385605D+00 -0.715804D-01  0.952695D-01 -0.532672D+00 -0.366638D-01
               116           117           118           119           120 
      1  -0.110019D+00 -0.366638D-01  0.226549D+01  0.142986D+01  0.280867D-01
      2   0.246639D+00 -0.562704D+00  0.142986D+01  0.807844D+00  0.388906D-01
      3  -0.562704D+00  0.127921D+00  0.280867D-01  0.388906D-01  0.724164D+00
               121           122           123           124           125 
      1   0.416156D+01  0.110068D+01  0.112714D+00 -0.149108D+00  0.258007D-01
      2   0.110068D+01  0.463055D+01 -0.313125D-01  0.258007D-01 -0.525565D-01
      3   0.112714D+00 -0.313125D-01  0.592934D+00  0.722964D+00  0.383689D+00
               126           127           128           129           130 
      1   0.722964D+00 -0.177532D+01  0.773721D+00 -0.329648D-01  0.218789D+01
      2   0.383689D+00  0.773721D+00 -0.263000D+01 -0.104669D-01 -0.912805D+00
      3   0.923460D-01 -0.329648D-01 -0.104669D-01 -0.235802D+00  0.214348D-01
               131           132           133           134           135 
      1  -0.912805D+00  0.214348D-01 -0.408291D+00  0.493806D-01  0.112135D+00
      2   0.667827D+01 -0.153720D+00  0.493806D-01 -0.574203D+00  0.904618D+00
      3  -0.153720D+00  0.110250D+01  0.112135D+00  0.904618D+00 -0.516803D-01
               136           137           138           139           140 
      1  -0.518667D+01  0.687646D+00 -0.491993D+00  0.732905D+00 -0.900343D+00
      2   0.687646D+00 -0.369526D+01  0.138026D+00 -0.900343D+00 -0.209271D+00
      3  -0.491993D+00  0.138026D+00 -0.125972D+01  0.116825D+00 -0.108732D+00
               141           142           143           144 
      1   0.116825D+00 -0.129720D+01  0.948634D-01 -0.646482D+00
      2  -0.108732D+00  0.948634D-01 -0.834378D+00  0.562933D+00
      3   0.263766D+00 -0.646482D+00  0.562933D+00 -0.499484D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.201641D+00 -0.433861D+00  0.111559D+01 -0.283702D+01  0.929627D+00
      2   0.122626D+01 -0.167026D+01 -0.550818D+01 -0.275817D+01 -0.507654D+00
      3   0.785943D+00 -0.483044D+01  0.876224D+00 -0.898720D+01 -0.646765D+01
                 6             7             8             9            10 
      1   0.829978D+01 -0.813226D+00  0.105789D+02 -0.195680D+01  0.446891D+00
      2   0.255024D+00 -0.144615D+02  0.300698D+01 -0.289344D+01 -0.291670D+00
      3   0.158825D+01  0.328951D+01  0.180207D+01 -0.180496D+01  0.742206D+01
                11            12            13            14            15 
      1   0.407211D+00 -0.758542D+00  0.262391D+00  0.171468D+01 -0.107138D+02
      2   0.241492D+00  0.354383D+01  0.105183D+00  0.633799D+00 -0.163292D+01
      3  -0.113681D+01 -0.715058D+00  0.190342D+02  0.174835D+02 -0.108701D+01
                16            17            18            19            20 
      1   0.150546D+01 -0.593399D+00  0.128191D+01  0.529964D+00 -0.117904D+00
      2  -0.265035D+01 -0.523349D+01  0.115379D+01  0.145206D+01  0.160968D+00
      3  -0.171256D+01 -0.479391D+00  0.526748D+01 -0.278535D+01 -0.793286D+01
                21            22            23            24            25 
      1  -0.180556D+00  0.561635D+00 -0.768683D+00 -0.242985D+01  0.177170D+01
      2   0.934701D+01  0.936615D+00  0.292347D+00 -0.158479D+01  0.531299D+01
      3  -0.264393D+00  0.947103D+00  0.167657D+02 -0.157348D+00 -0.109513D+01
                26            27            28            29            30 
      1   0.141121D+01  0.385276D+00  0.213312D+01  0.396307D+00  0.164356D+01
      2  -0.188781D+01  0.170476D+01 -0.200520D+01  0.151977D+00  0.236462D+01
      3  -0.145626D+01 -0.131866D+01 -0.973962D+00 -0.208578D+01 -0.636098D-01
                31            32            33            34            35 
      1   0.280668D+01  0.160618D+01 -0.169827D+01 -0.142382D+00  0.169152D+01
      2   0.169750D+01 -0.686561D-01 -0.245758D+01 -0.347032D+01 -0.100386D+01
      3   0.627805D+01  0.120021D+01 -0.490234D+00  0.258729D+00 -0.122515D+01
                36            37            38            39            40 
      1  -0.588973D+00 -0.233541D+01  0.168371D+01 -0.168561D+01  0.879626D+00
      2   0.287405D+01  0.274502D+00 -0.276816D+00  0.280683D+01 -0.140152D+01
      3   0.108029D+01  0.147700D+01 -0.133154D+01  0.356806D+00  0.679159D+01
                41            42            43            44            45 
      1  -0.365945D+00 -0.149743D+01  0.102888D+00  0.221063D+01  0.106784D+01
      2  -0.302207D+00  0.204937D+01 -0.365782D+01 -0.821260D+00  0.303648D+01
      3   0.185085D+01  0.372697D+00  0.107297D+00 -0.591578D+00 -0.487813D+00
                46            47            48            49            50 
      1   0.135400D+01 -0.469807D+01 -0.890377D+00 -0.318194D+01 -0.123418D+01
      2   0.280784D+01  0.211331D+01 -0.904462D+01  0.254147D+01  0.910392D+00
      3  -0.577426D+01  0.859066D+01 -0.118964D+01  0.138104D+01 -0.366806D+01
                51            52            53            54            55 
      1   0.624468D+01  0.250490D+01  0.134218D+02  0.100415D+01 -0.133307D+01
      2   0.168933D+01 -0.137035D+02 -0.279731D+01 -0.536736D+01  0.134538D+01
      3   0.123911D+01 -0.114662D+01  0.583375D+01 -0.801438D+00  0.952837D+01
                56            57            58            59            60 
      1   0.218073D+01  0.186401D+00  0.895078D+00 -0.383466D+00 -0.357033D+01
      2  -0.728450D+00  0.143671D+02 -0.991521D+00  0.844765D+00 -0.153191D+01
      3  -0.214570D+02  0.113032D+01 -0.185059D+01  0.894815D+01 -0.950031D+00
                61            62            63            64            65 
      1  -0.280965D+01  0.139281D+01 -0.103452D+01 -0.782519D+00 -0.698887D-01
      2   0.545518D+01  0.131234D+01  0.495629D+01  0.713922D+00  0.473046D+00
      3   0.782476D+00 -0.475225D+01  0.310227D+01  0.129310D+02 -0.117603D+02
                66            67            68            69            70 
      1  -0.252168D+01 -0.698821D+00 -0.257688D+01 -0.402148D+01 -0.126674D+01
      2   0.394658D+01 -0.880674D+00  0.268849D+00  0.189507D+01 -0.142135D+01
      3   0.441113D+00 -0.467433D+01  0.569714D+01 -0.284972D+00  0.258064D+01
                71            72            73            74            75 
      1   0.324209D+01 -0.176099D+01 -0.147864D+01 -0.758114D+00 -0.226140D+00
      2   0.130415D+01  0.970828D+00  0.297036D+00 -0.467993D+00  0.196529D+01
      3  -0.137266D+01 -0.326569D+00  0.136534D+02  0.849641D+01  0.130939D+01
                76            77            78            79            80 
      1  -0.582412D+00  0.183392D+01 -0.629054D+01 -0.346350D-01  0.109065D+01
      2   0.716700D+00  0.144320D-01 -0.213111D+01 -0.300425D+01  0.423498D-02
      3   0.988360D+01  0.892036D+01 -0.583855D-01  0.249046D+01  0.207723D+01
                81            82            83            84            85 
      1   0.448131D+00  0.274746D+00  0.984990D+00 -0.760939D+00 -0.406583D+00
      2  -0.165400D+00  0.367233D+00 -0.405189D+00  0.378895D+01 -0.484663D+00
      3   0.121665D+01  0.241276D+02 -0.667295D+01 -0.426313D-02  0.600167D+01
                86            87            88            89            90 
      1  -0.102851D+01 -0.791280D+01 -0.178850D+01 -0.245324D+01 -0.259331D+00
      2  -0.225749D+00  0.317404D+00 -0.104614D+01  0.405607D+01  0.468048D+00
      3  -0.861650D+01  0.184665D-01  0.128331D+01 -0.158023D+01 -0.341889D+01
                91            92            93            94            95 
      1   0.934611D-02  0.238947D+00  0.735251D+00  0.571262D+00 -0.751167D+00
      2  -0.193558D+01  0.643893D-01 -0.192524D+00 -0.314876D-01 -0.809560D+00
      3  -0.104236D+01 -0.437979D+00 -0.505983D+00  0.940858D+00 -0.454310D+00
                96            97            98            99           100 
      1   0.127730D-01  0.233732D+00  0.308207D+01  0.258906D+01 -0.208685D+00
      2   0.874725D-01 -0.346630D+01  0.453720D+00 -0.450098D+01 -0.200951D+01
      3   0.649004D+00 -0.101724D+01  0.145923D+01 -0.965009D+00  0.642921D+00
               101           102           103           104           105 
      1   0.312696D+00 -0.700035D+00  0.216053D+00 -0.146453D+00  0.492615D-01
      2  -0.194456D+00 -0.242830D+00  0.222084D+00 -0.563912D+00 -0.808129D-01
      3  -0.971495D+00  0.522134D+00  0.699116D+00 -0.308746D+00  0.685382D+00
               106           107           108           109           110 
      1  -0.420677D+00  0.292613D+01 -0.312491D+01 -0.704446D+00 -0.149652D+00
      2  -0.403967D+01  0.889247D-01 -0.468217D+01 -0.817856D+00  0.175518D+00
      3   0.640050D+00  0.758481D+00  0.351799D+00 -0.297409D+02  0.866090D+01
               111           112           113           114           115 
      1   0.112560D+01 -0.567688D-01  0.507069D-01 -0.550750D+00  0.188859D+00
      2  -0.313320D+01  0.145711D+00 -0.265141D+00  0.379277D+00 -0.307508D+01
      3   0.313353D+00  0.413578D+01 -0.216425D+01  0.213992D+00 -0.125239D+01
               116           117           118           119           120 
      1   0.465254D+00  0.164726D+00  0.345294D+00 -0.171998D+00 -0.915280D+00
      2   0.511963D+00  0.705790D-01  0.664836D-01 -0.151484D+00  0.107547D+01
      3   0.422111D+00 -0.216504D+00 -0.492152D+01 -0.148624D+01 -0.100429D+00
               121           122           123           124           125 
      1  -0.510808D-01  0.771597D+00  0.110635D+00  0.173347D+00  0.133702D+01
      2   0.246887D-01  0.125326D+00  0.288566D+01  0.465533D+00  0.168198D+01
      3  -0.197483D+01 -0.218246D+02 -0.119436D+00 -0.703139D-01  0.440276D+00
               126           127           128           129           130 
      1   0.667123D-01 -0.990655D-01 -0.732327D-01  0.982566D+00 -0.172304D+00
      2   0.507068D-01 -0.511910D+00  0.131505D+00 -0.641638D+00  0.385532D+00
      3  -0.101559D+01 -0.104025D+02  0.623750D+01  0.678855D-01  0.969546D+01
               131           132           133           134           135 
      1   0.245797D+00 -0.265346D+01 -0.214137D+00 -0.979199D+00  0.128565D+00
      2  -0.342050D+00  0.808754D+00 -0.148719D+01  0.844945D+00  0.197044D+00
      3  -0.127299D+02  0.182513D+00 -0.148410D+01  0.764238D+00 -0.663913D+00
               136           137           138           139           140 
      1   0.205013D+01  0.268122D+00  0.285020D+01  0.537095D+00  0.584563D+00
      2   0.278105D+00 -0.993533D-01  0.225984D+01 -0.227455D+00 -0.498075D-02
      3  -0.152408D+02 -0.114443D+02 -0.169142D+01 -0.395983D+01 -0.431882D+01
               141           142           143           144 
      1  -0.810241D-01  0.132242D+01  0.738030D+00  0.110674D+01
      2  -0.948240D+00 -0.919406D-01 -0.183467D+01  0.871526D+00
      3  -0.546758D+00 -0.365412D+01 -0.209987D+01  0.855830D-03
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.252940D+02  0.321740D+01 -0.522764D+00  0.113592D+01  0.244824D+02
      2   0.149420D+02 -0.574374D+01  0.140985D+01  0.854191D+00 -0.311895D+02
      3   0.103520D+02  0.252633D+01 -0.887091D+00 -0.199011D+01  0.670711D+01
      4  -0.442782D+01  0.681600D+00  0.121886D+00 -0.390083D+01  0.963828D+01
      5  -0.978402D+00 -0.636186D+00 -0.845154D+01 -0.391051D+00  0.432900D-01
      6  -0.375586D+00  0.482666D+00 -0.358087D+01  0.938307D+00 -0.138994D+01
                 6             7             8             9            10 
      1  -0.888376D+00 -0.551894D+01 -0.236917D+01 -0.388962D+01 -0.264613D+01
      2  -0.162809D+00  0.372571D+01  0.260078D+01 -0.677810D+01  0.578183D+01
      3   0.105118D+01  0.179323D+01 -0.231613D+00  0.106677D+02 -0.313570D+01
      4  -0.605104D+00  0.244513D+01 -0.192926D+01  0.256389D+00 -0.223747D+01
      5  -0.192002D+01  0.396596D+01  0.157394D+01 -0.324115D+01  0.445371D+00
      6  -0.957888D+01 -0.795872D+00  0.255406D+01  0.186663D+01 -0.257150D+00
                11            12            13            14            15 
      1  -0.880187D+01  0.237726D+00 -0.143979D+02 -0.362543D+02 -0.166519D-01
      2   0.827807D+01 -0.295148D+00  0.856677D+01  0.533513D+02 -0.312752D-01
      3   0.523802D+00  0.574226D-01  0.583109D+01 -0.170970D+02  0.479271D-01
      4   0.153125D+02 -0.565543D+00  0.148590D+02 -0.264803D+02  0.613450D+00
      5  -0.895994D-01  0.546055D+01  0.183724D+00 -0.122327D+00 -0.343960D+01
      6   0.300879D-01  0.166521D+01 -0.103967D+01  0.130399D+01  0.159783D+02
                16            17            18            19            20 
      1   0.857758D+00  0.146522D+01 -0.100663D+02  0.683630D+02 -0.164140D+01
      2  -0.109552D+01 -0.129225D+01  0.742543D+01 -0.411274D+02  0.112911D+01
      3   0.237761D+00 -0.172965D+00  0.264084D+01 -0.272356D+02  0.512290D+00
      4  -0.640064D+00  0.335079D+00 -0.711077D+01 -0.364413D+01  0.947846D+01
      5   0.292273D+01 -0.839541D+01  0.119439D+01  0.111814D+01  0.760547D+00
      6   0.977185D+00  0.140169D+02 -0.151107D+01  0.717453D+00 -0.231545D+00
                21            22            23            24            25 
      1   0.144100D+01 -0.114371D+02  0.235655D+01  0.131866D+00  0.462235D+01
      2  -0.811358D+00  0.592565D+01  0.481971D+00  0.159542D+00 -0.349973D+01
      3  -0.629638D+00  0.551147D+01 -0.283852D+01 -0.291408D+00 -0.112262D+01
      4   0.531815D+00  0.110434D+02 -0.182994D+02  0.888358D+00 -0.659201D-01
      5   0.175057D+02  0.587468D-01  0.717958D+00 -0.138827D+01  0.194171D+02
      6   0.251887D+00  0.408945D+00 -0.261012D+00  0.442158D+01 -0.201626D+01
                26            27            28            29            30 
      1   0.701055D+00  0.104792D+02 -0.122548D+00  0.350013D+01  0.254372D+01
      2   0.162946D+00 -0.107008D+02  0.870462D+00 -0.958908D+01  0.244452D+01
      3  -0.864001D+00  0.221508D+00 -0.747914D+00  0.608895D+01 -0.498824D+01
      4   0.884669D+00 -0.185402D+01 -0.585390D+01 -0.477292D+01 -0.124667D+01
      5   0.388967D+00  0.322503D+01 -0.218115D+01  0.253672D-01 -0.456733D+00
      6   0.341021D+01 -0.583326D+00  0.133993D+01 -0.184480D+01 -0.633766D+00
                31            32            33            34            35 
      1  -0.301987D+01 -0.121020D+01  0.109511D+01  0.137620D+01 -0.282171D+01
      2  -0.270470D+01 -0.270703D+01 -0.476814D+00  0.186411D+01 -0.421848D+01
      3   0.572456D+01  0.391722D+01 -0.618298D+00 -0.324032D+01  0.704019D+01
      4  -0.984933D+01 -0.125049D+02  0.693462D+00 -0.617804D+01  0.324772D+00
      5  -0.495281D-01 -0.522457D+00 -0.290541D+01  0.178123D+01  0.983217D+00
      6   0.308226D+00 -0.515940D-01 -0.257938D+01  0.305265D+01 -0.100756D+00
                36            37            38            39            40 
      1   0.108161D+02  0.275519D+01 -0.451982D+01  0.395215D+01  0.437574D+01
      2   0.831309D+01 -0.177689D+01  0.779408D+01  0.158945D+01 -0.300276D-01
      3  -0.191292D+02 -0.978294D+00 -0.327427D+01 -0.554159D+01 -0.434571D+01
      4   0.187600D+01  0.339969D+01 -0.417408D+01 -0.157289D-01 -0.841330D+01
      5   0.289165D+01  0.307714D+00 -0.637051D+00  0.153882D+00  0.519166D+00
      6   0.883970D+01 -0.161281D+01 -0.196487D+00  0.222714D+01  0.182644D+01
                41            42            43            44            45 
      1   0.165021D+00 -0.133742D+01  0.604411D+01  0.153127D+01  0.115350D+02
      2  -0.617545D+01 -0.166609D+01  0.792484D+00  0.151469D+01  0.902976D+01
      3   0.601043D+01  0.300352D+01 -0.683660D+01 -0.304596D+01 -0.205647D+02
      4   0.595661D+01  0.950635D+00  0.281005D+01 -0.930242D+00 -0.354286D+01
      5  -0.220641D+00  0.267678D+01  0.134858D+01 -0.184465D+01  0.268840D+01
      6  -0.631386D+00 -0.207235D+01 -0.322886D+01  0.195157D+01 -0.814417D+01
                46            47            48            49            50 
      1  -0.505392D+02  0.233050D+01 -0.274038D+01  0.177321D+02  0.175958D+02
      2   0.322359D+02  0.225823D+01  0.559407D+01 -0.121940D+02 -0.206001D+02
      3   0.183033D+02 -0.458874D+01 -0.285369D+01 -0.553807D+01  0.300429D+01
      4   0.553783D+01 -0.130829D+02 -0.610228D-01  0.416642D+01  0.195705D+01
      5  -0.599406D+01  0.890632D+00 -0.134356D+02  0.253204D+01  0.178188D+01
      6  -0.428752D+00 -0.452906D+00  0.310010D+01  0.210539D+01  0.191487D+01
                51            52            53            54            55 
      1   0.743945D+00 -0.117670D+02  0.130660D+01 -0.815588D+01  0.100927D+03
      2  -0.313469D+00  0.866375D+01  0.690723D+00 -0.286947D+01 -0.606880D+02
      3  -0.430476D+00  0.310320D+01 -0.199732D+01  0.110254D+02 -0.402390D+02
      4   0.198777D+01  0.475384D+00 -0.328774D+01  0.129298D+01 -0.189677D+01
      5   0.493722D+01  0.149586D+01  0.463428D+00 -0.696330D+01  0.827030D+01
      6  -0.886394D+01 -0.685136D+00  0.242995D+01 -0.516090D+00  0.180436D+00
                56            57            58            59            60 
      1  -0.757401D+01  0.574407D+01 -0.101820D+02  0.703067D+01 -0.609777D+00
      2   0.571516D+01 -0.566515D+01  0.770405D+01 -0.270572D+00  0.710689D+00
      3   0.185886D+01 -0.789114D-01  0.247796D+01 -0.676010D+01 -0.100912D+00
      4   0.252747D+02 -0.445323D+00  0.176102D+02 -0.554809D+01  0.201869D+01
      5  -0.125137D+01  0.244963D+02 -0.104817D+01  0.173614D+01 -0.383654D+01
      6   0.524222D+00 -0.433513D+00  0.906818D+00  0.295706D+00  0.569975D+01
                61            62            63            64            65 
      1   0.972661D+01 -0.111614D+01  0.156819D+02  0.135817D+02 -0.116601D+02
      2  -0.843678D+01  0.257282D+00 -0.147676D+02 -0.557629D+01  0.209221D+02
      3  -0.128983D+01  0.858857D+00 -0.914301D+00 -0.800546D+01 -0.926194D+01
      4  -0.100128D+01  0.437234D+01 -0.280767D+00  0.156984D+02  0.183598D+02
      5   0.258493D+02 -0.189018D+01  0.109296D+02  0.125216D+01  0.781547D-01
      6   0.256977D+01  0.395601D+01  0.108263D+01  0.130419D+01 -0.350366D+00
                66            67            68            69            70 
      1   0.368213D+00 -0.713805D+01  0.418953D+01 -0.304787D+01  0.251290D+01
      2  -0.196285D+01  0.127708D+02  0.225233D+01  0.594530D+00 -0.917857D+00
      3   0.159463D+01 -0.563274D+01 -0.644186D+01  0.245334D+01 -0.159504D+01
      4   0.138722D+01  0.173291D+02  0.185049D+02  0.861616D+00  0.505130D+01
      5   0.718955D+01 -0.225561D-01  0.107930D+01  0.335110D+01  0.615444D+01
      6   0.335152D+01 -0.981225D+00  0.272925D+01  0.695359D+01  0.382835D+01
                71            72            73            74            75 
      1  -0.209233D+01 -0.324059D+01 -0.534787D+01 -0.270475D+01 -0.224372D+01
      2   0.571049D+01 -0.140274D+01  0.562990D+01  0.819039D+00 -0.937359D+00
      3  -0.361816D+01  0.464333D+01 -0.282036D+00  0.188571D+01  0.318108D+01
      4   0.407061D+01  0.474668D+01  0.374228D+01  0.907065D+00  0.188074D+01
      5   0.345634D+01  0.142026D+01 -0.157423D+01  0.703029D+00  0.439247D+01
      6   0.710046D+01  0.225828D+01  0.181304D+01 -0.665214D+00  0.267457D+00
                76            77            78            79            80 
      1  -0.222857D+01 -0.196418D+02  0.192220D+01 -0.976546D+00 -0.135060D+01
      2  -0.241126D+01  0.330379D+02  0.131795D+01  0.108556D+01 -0.721097D+00
      3   0.463983D+01 -0.133961D+02 -0.324015D+01 -0.109009D+00  0.207170D+01
      4   0.156289D+02 -0.244084D+02 -0.102541D+01  0.149931D+01 -0.394795D+00
      5   0.614897D-01 -0.789222D+00 -0.439691D+01  0.362454D+01 -0.300685D+01
      6  -0.190464D+01  0.708095D+00  0.100596D+02 -0.151977D+01  0.807294D+01
                81            82            83            84            85 
      1  -0.582842D+01  0.117078D+02  0.413173D+01  0.485110D+00 -0.300957D+01
      2   0.169744D+01 -0.375737D+01 -0.216057D+01 -0.666817D+00  0.293808D+01
      3   0.413098D+01 -0.795047D+01 -0.197116D+01  0.181707D+00  0.714849D-01
      4  -0.329149D+01  0.204915D+02  0.211080D+02 -0.789170D+00  0.846034D+01
      5  -0.316067D+00  0.316187D+00 -0.767334D+00  0.702680D+01 -0.139033D+01
      6   0.649140D+00  0.427900D+00 -0.261105D+00  0.185136D+00 -0.181216D+01
                86            87            88            89            90 
      1  -0.264501D+02  0.439436D+00  0.239034D+00 -0.630839D+00 -0.817294D+01
      2   0.400094D+02 -0.388773D+00 -0.126214D+01  0.143635D+00  0.498593D+01
      3  -0.135593D+02 -0.506630D-01  0.102310D+01  0.487203D+00  0.318701D+01
      4   0.197477D+02 -0.143843D+01 -0.281627D+00  0.251998D+00  0.643540D+01
      5  -0.209133D+01  0.156695D+01  0.408454D+01  0.688100D+01 -0.263265D+00
      6  -0.245335D+01  0.142084D+02 -0.518533D-01  0.128984D+02 -0.718057D+00
                91            92            93            94            95 
      1  -0.194421D+01 -0.152358D-01 -0.327948D+01 -0.360563D+00 -0.336268D+01
      2  -0.288375D+01  0.450053D+00 -0.114456D+01  0.666708D-01  0.290388D+00
      3   0.482796D+01 -0.434817D+00  0.442404D+01  0.293892D+00  0.307229D+01
      4  -0.665939D+00  0.187852D+01 -0.147551D+01  0.260356D+01  0.115856D+01
      5   0.263039D+00 -0.646795D+00  0.493997D+01 -0.183241D+00 -0.626734D+00
      6  -0.191605D+01  0.773860D+00 -0.184562D+01  0.296024D+00 -0.201579D+01
                96            97            98            99           100 
      1   0.185350D+01 -0.382035D+01  0.338747D+01 -0.199324D+02 -0.244289D+01
      2  -0.140833D+01 -0.105486D+01 -0.102055D+01 -0.152683D+02 -0.276029D+01
      3  -0.445172D+00  0.487520D+01 -0.236691D+01  0.352008D+02  0.520318D+01
      4  -0.135732D+01 -0.949205D+00 -0.277619D+01 -0.102531D+00  0.110884D+01
      5   0.417951D+00  0.368139D+01  0.327399D+00 -0.585070D+01  0.303252D+00
      6   0.655496D+01 -0.921500D+00  0.527553D+01 -0.104809D+02  0.165421D+01
               101           102           103           104           105 
      1   0.540850D+00 -0.353755D+01  0.702320D+00 -0.296615D+01 -0.117352D+01
      2  -0.449497D+00 -0.110651D+01 -0.905644D-01 -0.255516D+00  0.206764D+01
      3  -0.913525D-01  0.464407D+01 -0.611755D+00  0.322167D+01 -0.894114D+00
      4   0.238083D+01  0.135686D+01  0.239259D+01 -0.181251D+00 -0.134730D+01
      5   0.318802D+00  0.527885D+01 -0.172556D+00 -0.502178D+00 -0.151465D+00
      6   0.642650D+00  0.149085D+01  0.718539D+00  0.131504D+01  0.633323D+01
               106           107           108           109           110 
      1  -0.559748D+01 -0.205293D+01 -0.216460D+02 -0.131752D+02  0.383958D+01
      2  -0.116164D+01  0.227527D+01 -0.157927D+02  0.674855D+01 -0.480594D+01
      3   0.675913D+01 -0.222344D+00  0.374387D+02  0.642666D+01  0.966363D+00
      4   0.145650D+01 -0.239145D+01  0.994454D+00 -0.170195D+02 -0.136614D+02
      5   0.382551D+01 -0.449576D-01 -0.569736D+01 -0.583081D+00  0.436169D+00
      6   0.126148D+01  0.475165D+01  0.932599D+01 -0.584676D+00  0.324380D+00
               111           112           113           114           115 
      1  -0.489390D+00  0.159362D+01 -0.599526D+01  0.373025D+00  0.177336D+00
      2   0.447669D-02 -0.144833D+01  0.819466D+01 -0.338698D+00 -0.497155D-01
      3   0.484914D+00 -0.145297D+00 -0.219940D+01 -0.343275D-01 -0.127621D+00
      4   0.410536D+00  0.556228D+00  0.160259D+01  0.976107D-01 -0.395019D+00
      5  -0.567417D+01  0.569517D-01 -0.264096D+00  0.615960D+00  0.312923D+00
      6  -0.141718D+01  0.284737D+00 -0.475608D+00  0.165576D+01 -0.139915D+00
               116           117           118           119           120 
      1   0.771867D+00 -0.235853D+01  0.108508D+02  0.732849D+01  0.104602D+00
      2  -0.680196D+00  0.731377D+00 -0.478402D+01 -0.343205D+01  0.472126D-01
      3  -0.916706D-01  0.162716D+01 -0.606675D+01 -0.389644D+01 -0.151815D+00
      4   0.279033D+00  0.443007D+00  0.837073D+01  0.611671D+01  0.327383D-02
      5   0.726912D+00  0.212530D+00 -0.135363D+00  0.156823D-01  0.259179D+01
      6   0.266411D+01 -0.481321D+00  0.647792D-02  0.328291D-01  0.137053D+01
               121           122           123           124           125 
      1   0.224532D+02  0.501261D+01  0.581841D+00 -0.864880D+00  0.385713D-01
      2  -0.132056D+02 -0.170626D+01 -0.565453D+00  0.421746D+00 -0.236113D+00
      3  -0.924753D+01 -0.330635D+01 -0.163881D-01  0.443134D+00  0.197542D+00
      4   0.775605D+01  0.229999D+02 -0.853425D-01 -0.107719D+00 -0.197865D+00
      5   0.550011D+00 -0.234559D+00  0.459225D+01  0.468149D+01  0.272068D+01
      6   0.777554D-01  0.431576D+00 -0.236419D+00  0.802171D+00  0.160005D+01
               126           127           128           129           130 
      1   0.188536D+01 -0.443349D+01  0.980231D+01 -0.699705D+00  0.741261D+01
      2  -0.204048D+01  0.455155D+01 -0.132292D+02  0.231538D+00 -0.681850D+01
      3   0.155121D+00 -0.118052D+00  0.342688D+01  0.468166D+00 -0.594110D+00
      4   0.279638D+01 -0.394382D+01 -0.135276D+01 -0.154358D+00  0.387114D+01
      5   0.245849D+00 -0.973658D-01  0.120601D+00 -0.981629D+00  0.530962D-01
      6   0.600272D-01 -0.524075D+00  0.107237D+01 -0.120007D+01  0.107950D+00
               131           132           133           134           135 
      1  -0.222102D+02  0.762998D+00 -0.400563D+00  0.206216D+01 -0.346214D+01
      2   0.331800D+02 -0.102221D+01  0.515773D+00 -0.238374D+01  0.334672D+01
      3  -0.109698D+02  0.259213D+00 -0.115210D+00  0.321586D+00  0.115413D+00
      4   0.819938D+01 -0.343291D+00 -0.599579D+00 -0.741036D+00  0.851283D+00
      5  -0.698177D+00  0.175144D+01  0.101025D+01  0.948855D+00  0.384348D+00
      6  -0.194432D+01  0.450827D+01 -0.186450D+00  0.571191D+01 -0.620424D+00
               136           137           138           139           140 
      1   0.160048D+02  0.306124D+01  0.198772D+01 -0.404937D+01  0.450755D+01
      2  -0.652858D+01 -0.837326D+01 -0.407017D+00  0.911834D+00 -0.239254D+01
      3  -0.947623D+01  0.531202D+01 -0.158070D+01  0.313754D+01 -0.211501D+01
      4  -0.180337D+02  0.146717D+02 -0.190263D+01  0.457018D+01 -0.171622D+01
      5   0.178097D+01 -0.284288D+00  0.336897D+01 -0.757799D+00  0.713151D+00
      6  -0.174454D+01  0.119352D+00 -0.479880D+01  0.272042D+00 -0.439162D+00
               141           142           143           144 
      1  -0.187881D+00  0.171376D+01  0.181194D+01  0.751837D+00
      2   0.238720D+00 -0.126655D+01 -0.216095D+01 -0.151306D+01
      3  -0.508384D-01 -0.447209D+00  0.349016D+00  0.761225D+00
      4   0.604092D+00 -0.351923D+01  0.213008D+01 -0.351013D+01
      5  -0.187145D+01  0.452790D+01 -0.266243D+01  0.165329D+01
      6   0.362640D+00 -0.231974D+01  0.283269D+01 -0.199068D+01

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.156366D+01      0.397443D+01      0.132573D+02
   x          0.101689D+01      0.258468D+01      0.862157D+01
   y          0.118413D+01      0.300975D+01      0.100394D+02
   z         -0.938804D-01     -0.238620D+00     -0.795952D+00

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.672457D+02      0.996479D+01      0.110873D+02
   aniso      0.310832D+02      0.460605D+01      0.512492D+01
   xx         0.817975D+02      0.121211D+02      0.134866D+02
   yx         0.485171D+00      0.718949D-01      0.799938D-01
   yy         0.724905D+02      0.107420D+02      0.119521D+02
   zx         0.231744D+01      0.343409D+00      0.382094D+00
   zy        -0.928608D+00     -0.137605D+00     -0.153107D+00
   zz         0.474490D+02      0.703122D+01      0.782329D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.737382D+02      0.109269D+02      0.121578D+02
   aniso      0.319633D+02      0.473648D+01      0.527004D+01
   xx         0.886837D+02      0.131416D+02      0.146220D+02
   yx         0.626253D+00      0.928011D-01      0.103255D+00
   yy         0.791257D+02      0.117252D+02      0.130461D+02
   zx         0.251348D+01      0.372460D+00      0.414417D+00
   zy        -0.963643D+00     -0.142797D+00     -0.158883D+00
   zz         0.534051D+02      0.791382D+01      0.880532D+01

 ----------------------------------------------------------------------

 Dipole orientation:
     6          2.36613705         -1.93231799          1.06411086
     8          3.00072679         -2.52661013         -1.05307819
     8          3.23434426         -3.14809118          3.06439376
     6          0.57953831          0.25315521          1.64440423
     6         -1.74053337          0.54815162         -0.07722782
     6         -1.33701404          1.28257180         -2.87418922
     8         -2.57050826          3.01472731         -3.70610856
     8         -0.29014366         -0.16379782          4.16270315
     8         -3.17544312          2.49464004          1.07212425
     8          0.24842355         -0.02655414         -4.26499645
     1          1.61570088          2.04863596          1.64290003
     1         -2.86860962         -1.18682636          0.06026479
     1          1.32614180         -1.15806300         -3.21385684
     1          2.37538208         -2.48111987          4.55567432
     1         -1.53344592          1.12583451          4.52766959
     1         -3.70314660          3.58767736         -0.31555838

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.156366D+01      0.397443D+01      0.132573D+02
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.156366D+01      0.397443D+01      0.132573D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.672457D+02      0.996479D+01      0.110873D+02
   aniso      0.310832D+02      0.460605D+01      0.512492D+01
   xx         0.621454D+02      0.920900D+01      0.102464D+02
   yx        -0.150861D+02     -0.223553D+01     -0.248736D+01
   yy         0.628739D+02      0.931696D+01      0.103665D+02
   zx         0.175982D+01      0.260778D+00      0.290155D+00
   zy        -0.489331D+01     -0.725114D+00     -0.806798D+00
   zz         0.767178D+02      0.113684D+02      0.126491D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.737382D+02      0.109269D+02      0.121578D+02
   aniso      0.319633D+02      0.473648D+01      0.527004D+01
   xx         0.683239D+02      0.101246D+02      0.112651D+02
   yx        -0.154437D+02     -0.228853D+01     -0.254633D+01
   yy         0.693072D+02      0.102703D+02      0.114272D+02
   zx         0.176053D+01      0.260884D+00      0.290273D+00
   zy        -0.509937D+01     -0.755648D+00     -0.840772D+00
   zz         0.835835D+02      0.123858D+02      0.137811D+02

 ----------------------------------------------------------------------
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 NO HUMAN INVESTIGATION CAN BECOME REAL SCIENCE
 WITHOUT GOING THROUGH MATHEMATICAL PEOPLE.
 -- LEONARDO DA VINCI, IN "PENSIERI" CA. 1492
 Job cpu time:       0 days  2 hours 13 minutes 39.9 seconds.
 Elapsed time:       0 days  0 hours 16 minutes 54.5 seconds.
 File lengths (MBytes):  RWF=    235 Int=      0 D2E=      0 Chk=     10 Scr=      2
 Normal termination of Gaussian 16 at Fri Jul 16 13:27:00 2021.
